(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid

C10H12ClNO3 — CID 96802774

IUPAC(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
SMILESCOc1cc(Cl)ccc1C[C@@H](N)C(=O)O
InChIInChI=1S/C10H12ClNO3/c1-15-9-5-7(11)3-2-6(9)4-8(12)10(13)14/h2-3,5,8H,4,12H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyCRVNEIVGFSMKNQ-MRVPVSSYSA-N
MW229.66 g/mol
LogP1.30
Rot. Bonds4

About (2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid

(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid (PubChem CID 96802774) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
PubChem CID96802774
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
SMILESCOc1cc(Cl)ccc1C[C@@H](N)C(=O)O
InChIInChI=1S/C10H12ClNO3/c1-15-9-5-7(11)3-2-6(9)4-8(12)10(13)14/h2-3,5,8H,4,12H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyCRVNEIVGFSMKNQ-MRVPVSSYSA-N
XLogP1.30
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
3-[2-(2-amino-2-carboxyethyl)-4-chlorophenyl]-2-methylpropanoic acid
CID 18956360
3-[(4-chloro-2-methoxyphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065539
2-amino-3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117329895
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117326521
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 170880007
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
2-amino-3-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 115240654
(2S)-2-amino-3-(4-chloro-3-methoxyphenyl)propanoic acid
CID 57319937
2-amino-3-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117395987
(2S)-2-amino-N-[(4-chloro-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119779172

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid (CID 96802774) is (2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid is COc1cc(Cl)ccc1C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid?
The InChIKey is CRVNEIVGFSMKNQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-15-9-5-7(11)3-2-6(9)4-8(12)10(13)14/h2-3,5,8H,4,12H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid?
(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid has a molecular weight of 229.66 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 96802774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).