(2S)-2-[(4-chlorophenyl)methylamino]propanoic acid

C10H12ClNO2 — CID 14259254

IUPAC(2S)-2-[(4-chlorophenyl)methylamino]propanoic acid
SMILESC[C@H](NCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-7(10(13)14)12-6-8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyFBMVXXOKUYWDEC-ZETCQYMHSA-N
MW213.66 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-[(4-chlorophenyl)methylamino]propanoic acid

(2S)-2-[(4-chlorophenyl)methylamino]propanoic acid (PubChem CID 14259254) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)methylamino]propanoic acid
PubChem CID14259254
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(2S)-2-[(4-chlorophenyl)methylamino]propanoic acid
SMILESC[C@H](NCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-7(10(13)14)12-6-8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyFBMVXXOKUYWDEC-ZETCQYMHSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)methylamino]propanoic acid?
The IUPAC name of (2S)-2-[(4-chlorophenyl)methylamino]propanoic acid (CID 14259254) is (2S)-2-[(4-chlorophenyl)methylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)methylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)methylamino]propanoic acid is C[C@H](NCc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)methylamino]propanoic acid?
The InChIKey is FBMVXXOKUYWDEC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(10(13)14)12-6-8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)methylamino]propanoic acid?
(2S)-2-[(4-chlorophenyl)methylamino]propanoic acid has a molecular weight of 213.66 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)methylamino]propanoic acid is sourced from PubChem (CID 14259254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).