(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid

C10H12ClNO3 — CID 68714535

IUPAC(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid
SMILESN[C@@H](COCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H12ClNO3/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1
InChIKeyLFHILOQDRVIAGX-VIFPVBQESA-N
MW229.66 g/mol
LogP1.27
Rot. Bonds5

About (2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid

(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid (PubChem CID 68714535) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid
PubChem CID68714535
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid
SMILESN[C@@H](COCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H12ClNO3/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1
InChIKeyLFHILOQDRVIAGX-VIFPVBQESA-N
XLogP1.27
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(2S)-2,6-diamino-6-[(4-chlorophenyl)methoxy]hexanoic acid
CID 139616232
(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 70052884
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67009405
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
CID 70052889
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
2-amino-3-[(4-bromophenyl)methoxy]propanamide
CID 82827712
(4-chlorophenyl)methyl 2-aminopentanoate
CID 65126938
(2S)-3-[(4-chlorophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7018794
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid (CID 68714535) is (2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid is N[C@@H](COCc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid?
The InChIKey is LFHILOQDRVIAGX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO3/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid?
(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid has a molecular weight of 229.66 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid is sourced from PubChem (CID 68714535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).