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[ CAS No. 1188-37-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1188-37-0
Chemical Structure| 1188-37-0
Structure of 1188-37-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1188-37-0 ]

CAS No. :1188-37-0 MDL No. :MFCD00002802
Formula : C7H11NO5 Boiling Point : -
Linear Structure Formula :HOOCCH(NHCOCH3)CH2CH2COOH InChI Key :RFMMMVDNIPUKGG-YFKPBYRVSA-N
M.W : 189.17 Pubchem ID :70914
Synonyms :
Chemical Name :N-Acetyl-L-glutamic acid

Calculated chemistry of [ 1188-37-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.57
Num. rotatable bonds : 6
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 42.31
TPSA : 103.7 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.75 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.5
Log Po/w (XLOGP3) : -1.82
Log Po/w (WLOGP) : -0.56
Log Po/w (MLOGP) : -0.73
Log Po/w (SILICOS-IT) : -0.75
Consensus Log Po/w : -0.67

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : 0.53
Solubility : 641.0 mg/ml ; 3.39 mol/l
Class : Highly soluble
Log S (Ali) : 0.16
Solubility : 273.0 mg/ml ; 1.44 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.12
Solubility : 252.0 mg/ml ; 1.33 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.99

Safety of [ 1188-37-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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