2-(4-chloroanilino)propanoic acid

C9H10ClNO2 — CID 2757760

IUPAC2-(4-chloroanilino)propanoic acid
SMILESCC(Nc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-6(9(12)13)11-8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13)
InChIKeyLKAFPNQADHUXMM-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-chloroanilino)propanoic acid

2-(4-chloroanilino)propanoic acid (PubChem CID 2757760) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-(4-chloroanilino)propanoic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)propanoic acid
PubChem CID2757760
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-(4-chloroanilino)propanoic acid
SMILESCC(Nc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-6(9(12)13)11-8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13)
InChIKeyLKAFPNQADHUXMM-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)propanoic acid?
The IUPAC name of 2-(4-chloroanilino)propanoic acid (CID 2757760) is 2-(4-chloroanilino)propanoic acid.
What is the SMILES notation for 2-(4-chloroanilino)propanoic acid?
The canonical SMILES for 2-(4-chloroanilino)propanoic acid is CC(Nc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-(4-chloroanilino)propanoic acid?
The InChIKey is LKAFPNQADHUXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6(9(12)13)11-8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13).
What are the key properties of 2-(4-chloroanilino)propanoic acid?
2-(4-chloroanilino)propanoic acid has a molecular weight of 199.64 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)propanoic acid is sourced from PubChem (CID 2757760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).