(2R)-2-(4-chloroanilino)propanoate

C9H9ClNO2- — CID 7152546

IUPAC(2R)-2-(4-chloroanilino)propanoate
SMILESC[C@@H](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)/p-1/t6-/m1/s1
InChIKeyLKAFPNQADHUXMM-ZCFIWIBFSA-M
MW198.63 g/mol
LogP0.89
Rot. Bonds3

About (2R)-2-(4-chloroanilino)propanoate

(2R)-2-(4-chloroanilino)propanoate (PubChem CID 7152546) has the molecular formula C9H9ClNO2- and a molecular weight of 198.63 g/mol. Its IUPAC name is (2R)-2-(4-chloroanilino)propanoate.

Molecular Properties

Compound Name(2R)-2-(4-chloroanilino)propanoate
PubChem CID7152546
Molecular FormulaC9H9ClNO2-
Molecular Weight198.63 g/mol
Exact Mass198.03
IUPAC Name(2R)-2-(4-chloroanilino)propanoate
SMILESC[C@@H](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)/p-1/t6-/m1/s1
InChIKeyLKAFPNQADHUXMM-ZCFIWIBFSA-M
XLogP0.89
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroanilino)propanamide
CID 43085931
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
lithium (2S)-2-(3-chloro-4-fluoroanilino)propanoate
CID 69119001
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
2-methylpropyl (2S)-2-(4-chloroanilino)propanoate
CID 54074575
2-(4-chloroanilino)-1-phenylpropan-1-one
CID 14026529
(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152564
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloroanilino)propanoate?
The IUPAC name of (2R)-2-(4-chloroanilino)propanoate (CID 7152546) is (2R)-2-(4-chloroanilino)propanoate.
What is the SMILES notation for (2R)-2-(4-chloroanilino)propanoate?
The canonical SMILES for (2R)-2-(4-chloroanilino)propanoate is C[C@@H](Nc1ccc(Cl)cc1)C(=O)[O-].
What is the InChIKey of (2R)-2-(4-chloroanilino)propanoate?
The InChIKey is LKAFPNQADHUXMM-ZCFIWIBFSA-M. 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)/p-1/t6-/m1/s1.
What are the key properties of (2R)-2-(4-chloroanilino)propanoate?
(2R)-2-(4-chloroanilino)propanoate has a molecular weight of 198.63 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloroanilino)propanoate is sourced from PubChem (CID 7152546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).