2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid

C13H15ClN2O4S — CID 43387535

IUPAC2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O4S/c14-9-3-1-2-4-10(9)21-6-5-11(17)15-7-12(18)16-8-13(19)20/h1-4H,5-8H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGLYVWDYHKYSUJX-UHFFFAOYSA-N
MW330.79 g/mol
LogP1.14
Rot. Bonds8

About 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid

2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid (PubChem CID 43387535) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
PubChem CID43387535
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O4S/c14-9-3-1-2-4-10(9)21-6-5-11(17)15-7-12(18)16-8-13(19)20/h1-4H,5-8H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGLYVWDYHKYSUJX-UHFFFAOYSA-N
XLogP1.14
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43465386
3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500451
(2S)-2-[3-(2-chlorophenyl)sulfanylpropanoylamino]butanedioic acid
CID 112733017
2-[[3-(2-chlorophenyl)sulfanylpropanoylamino]methyl]-3-methylbutanoic acid
CID 65219946
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
(2S)-2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid
CID 61137724
3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103712971
3-(2-chlorophenyl)sulfanylpropanoate
CID 2380456
2-[3-(2,5-dimethylphenyl)sulfanylpropanoylamino]acetic acid
CID 82042807
N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide
CID 78786049
2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-hydroxybutanoic acid
CID 43238727

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid (CID 43387535) is 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CCSc1ccccc1Cl.
What is the InChIKey of 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid?
The InChIKey is GLYVWDYHKYSUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c14-9-3-1-2-4-10(9)21-6-5-11(17)15-7-12(18)16-8-13(19)20/h1-4H,5-8H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid?
2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid has a molecular weight of 330.79 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).