2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid

C13H15ClN2O5 — CID 61244023

IUPAC2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NC(CCO)C(=O)O
InChIInChI=1S/C13H15ClN2O5/c14-9-3-1-2-8(6-9)12(19)15-7-11(18)16-10(4-5-17)13(20)21/h1-3,6,10,17H,4-5,7H2,(H,15,19)(H,16,18)(H,20,21)
InChIKeyAFVSLJDJOQTMLM-UHFFFAOYSA-N
MW314.72 g/mol
LogP0.02
Rot. Bonds7

About 2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid

2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid (PubChem CID 61244023) has the molecular formula C13H15ClN2O5 and a molecular weight of 314.72 g/mol. Its IUPAC name is 2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid
PubChem CID61244023
Molecular FormulaC13H15ClN2O5
Molecular Weight314.72 g/mol
Exact Mass314.07
IUPAC Name2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NC(CCO)C(=O)O
InChIInChI=1S/C13H15ClN2O5/c14-9-3-1-2-8(6-9)12(19)15-7-11(18)16-10(4-5-17)13(20)21/h1-3,6,10,17H,4-5,7H2,(H,15,19)(H,16,18)(H,20,21)
InChIKeyAFVSLJDJOQTMLM-UHFFFAOYSA-N
XLogP0.02
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 61242923
(2R)-2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]propanoic acid
CID 54991487
3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide
CID 103802920
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322
3-chloro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981708
(2S)-2-[(3-chlorobenzoyl)amino]pentanedioic acid
CID 61152009
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243638
(2S)-2-[[2-(3-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822042
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80749551

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid (CID 61244023) is 2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid is O=C(CNC(=O)c1cccc(Cl)c1)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid?
The InChIKey is AFVSLJDJOQTMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O5/c14-9-3-1-2-8(6-9)12(19)15-7-11(18)16-10(4-5-17)13(20)21/h1-3,6,10,17H,4-5,7H2,(H,15,19)(H,16,18)(H,20,21).
What are the key properties of 2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid?
2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid has a molecular weight of 314.72 g/mol, XLogP of 0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).