2-acetamido-3-(3-chloroanilino)propanoic acid

C11H13ClN2O3 — CID 64581658

IUPAC2-acetamido-3-(3-chloroanilino)propanoic acid
SMILESCC(=O)NC(CNc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-7(15)14-10(11(16)17)6-13-9-4-2-3-8(12)5-9/h2-5,10,13H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyYUJDUYWLRDEWSW-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.34
Rot. Bonds5

About 2-acetamido-3-(3-chloroanilino)propanoic acid

2-acetamido-3-(3-chloroanilino)propanoic acid (PubChem CID 64581658) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-acetamido-3-(3-chloroanilino)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3-chloroanilino)propanoic acid
PubChem CID64581658
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-acetamido-3-(3-chloroanilino)propanoic acid
SMILESCC(=O)NC(CNc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-7(15)14-10(11(16)17)6-13-9-4-2-3-8(12)5-9/h2-5,10,13H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyYUJDUYWLRDEWSW-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-chloroanilino)propanoic acid
CID 103234190
2-acetamido-3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propanoic acid
CID 81372439
2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid
CID 64583466
2-acetamido-3-(2,4,6-trichloroanilino)propanoic acid
CID 64583059
(2R)-2-(3-chloroanilino)pentanoic acid
CID 40801075
2-acetamido-3-(3,4-dicyanoanilino)propanoic acid
CID 107789426
1-(3-chloroanilino)propan-2-one
CID 21364413
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
2-acetamido-3-[4-(dimethylamino)anilino]propanoic acid
CID 64583264
2-acetamido-3-(4-bromo-3-methoxyanilino)propanoic acid
CID 82867449
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-chloroanilino)propanoic acid?
The IUPAC name of 2-acetamido-3-(3-chloroanilino)propanoic acid (CID 64581658) is 2-acetamido-3-(3-chloroanilino)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3-chloroanilino)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3-chloroanilino)propanoic acid is CC(=O)NC(CNc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(3-chloroanilino)propanoic acid?
The InChIKey is YUJDUYWLRDEWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7(15)14-10(11(16)17)6-13-9-4-2-3-8(12)5-9/h2-5,10,13H,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamido-3-(3-chloroanilino)propanoic acid?
2-acetamido-3-(3-chloroanilino)propanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-chloroanilino)propanoic acid is sourced from PubChem (CID 64581658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).