(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid

C10H12ClNO3 — CID 174797793

IUPAC(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid
SMILESN[C@H](CCc1ccc(O)cc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO3/c11-8-5-7(13)3-1-6(8)2-4-9(12)10(14)15/h1,3,5,9,13H,2,4,12H2,(H,14,15)/t9-/m1/s1
InChIKeyNCHFAAFFPNDLOK-SECBINFHSA-N
MW229.66 g/mol
LogP1.39
Rot. Bonds4

About (2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid

(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid (PubChem CID 174797793) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid
PubChem CID174797793
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid
SMILESN[C@H](CCc1ccc(O)cc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO3/c11-8-5-7(13)3-1-6(8)2-4-9(12)10(14)15/h1,3,5,9,13H,2,4,12H2,(H,14,15)/t9-/m1/s1
InChIKeyNCHFAAFFPNDLOK-SECBINFHSA-N
XLogP1.39
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
(2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid
CID 171702806
2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354
(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid
CID 152754952
3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol
CID 10686994
(2S)-2-amino-4-(2,5-dimethylphenyl)butanoic acid
CID 94767216
4-(aminomethyl)-3-chlorophenol;dihydrochloride
CID 133059883
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
CID 67114059
2-amino-4-(4-hydroxy-2-methoxy-3-methylphenyl)butanoic acid
CID 175320516
(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid
CID 57008274

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid?
The IUPAC name of (2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid (CID 174797793) is (2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid?
The canonical SMILES for (2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid is N[C@H](CCc1ccc(O)cc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid?
The InChIKey is NCHFAAFFPNDLOK-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClNO3/c11-8-5-7(13)3-1-6(8)2-4-9(12)10(14)15/h1,3,5,9,13H,2,4,12H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid?
(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid has a molecular weight of 229.66 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 174797793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).