(2-chlorophenyl) (2S)-2-(methylamino)propanoate

C10H12ClNO2 — CID 175000753

IUPAC(2-chlorophenyl) (2S)-2-(methylamino)propanoate
SMILESCN[C@@H](C)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-7(12-2)10(13)14-9-6-4-3-5-8(9)11/h3-7,12H,1-2H3/t7-/m0/s1
InChIKeyBGBFRKSGCIMOBV-ZETCQYMHSA-N
MW213.66 g/mol
LogP1.85
Rot. Bonds3

About (2-chlorophenyl) (2S)-2-(methylamino)propanoate

(2-chlorophenyl) (2S)-2-(methylamino)propanoate (PubChem CID 175000753) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (2-chlorophenyl) (2S)-2-(methylamino)propanoate.

Molecular Properties

Compound Name(2-chlorophenyl) (2S)-2-(methylamino)propanoate
PubChem CID175000753
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(2-chlorophenyl) (2S)-2-(methylamino)propanoate
SMILESCN[C@@H](C)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-7(12-2)10(13)14-9-6-4-3-5-8(9)11/h3-7,12H,1-2H3/t7-/m0/s1
InChIKeyBGBFRKSGCIMOBV-ZETCQYMHSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587
2-[(2-chlorophenoxy)carbonylamino]propanoic acid
CID 83825067
(2-chlorophenyl) N-(2-aminopropyl)carbamate
CID 83823727
(2-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
(2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate
CID 175409197
(2-chlorophenyl) 2-methoxyacetate
CID 542147
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate
CID 99737716
methyl 2-amino-3-(2-chlorophenoxy)butanoate
CID 86263211
(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate
CID 83823725
(4-hydroxyphenyl) 2-(methylamino)propanoate
CID 77292098

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) (2S)-2-(methylamino)propanoate?
The IUPAC name of (2-chlorophenyl) (2S)-2-(methylamino)propanoate (CID 175000753) is (2-chlorophenyl) (2S)-2-(methylamino)propanoate.
What is the SMILES notation for (2-chlorophenyl) (2S)-2-(methylamino)propanoate?
The canonical SMILES for (2-chlorophenyl) (2S)-2-(methylamino)propanoate is CN[C@@H](C)C(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) (2S)-2-(methylamino)propanoate?
The InChIKey is BGBFRKSGCIMOBV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(12-2)10(13)14-9-6-4-3-5-8(9)11/h3-7,12H,1-2H3/t7-/m0/s1.
What are the key properties of (2-chlorophenyl) (2S)-2-(methylamino)propanoate?
(2-chlorophenyl) (2S)-2-(methylamino)propanoate has a molecular weight of 213.66 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) (2S)-2-(methylamino)propanoate is sourced from PubChem (CID 175000753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).