2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid

C13H14ClNO3 — CID 79262056

IUPAC2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H14ClNO3/c1-2-7-15(9-13(17)18)12(16)8-10-5-3-4-6-11(10)14/h2-6H,1,7-9H2,(H,17,18)
InChIKeyDGCPYGRIGZMTGA-UHFFFAOYSA-N
MW267.71 g/mol
LogP1.98
Rot. Bonds6

About 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid

2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid (PubChem CID 79262056) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid
PubChem CID79262056
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H14ClNO3/c1-2-7-15(9-13(17)18)12(16)8-10-5-3-4-6-11(10)14/h2-6H,1,7-9H2,(H,17,18)
InChIKeyDGCPYGRIGZMTGA-UHFFFAOYSA-N
XLogP1.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]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-chlorophenyl)methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79276787
2-[[2-[(2-chlorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
CID 79264733
2-(2-hydroxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 71864379
3-[(2-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108897654
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
3-[(2-chlorophenyl)methyl-prop-2-enylamino]propanoic acid
CID 82328005
2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
CID 60828054
2-[(2-ethylphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285251
2-[[2-(2-aminoethyl)benzoyl]-prop-2-enylamino]acetic acid
CID 79264345
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-(2-chlorophenyl)-N,N-diphenylacetamide
CID 54344934
2-[[2-(3-nitrophenyl)acetyl]-prop-2-enylamino]acetic acid
CID 104541001

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid (CID 79262056) is 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid?
The InChIKey is DGCPYGRIGZMTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-2-7-15(9-13(17)18)12(16)8-10-5-3-4-6-11(10)14/h2-6H,1,7-9H2,(H,17,18).
What are the key properties of 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid?
2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid has a molecular weight of 267.71 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79262056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).