(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid

C8H8ClNO3 — CID 11401421

IUPAC(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1
InChIKeyFLZDFFKRJPLFGS-ZETCQYMHSA-N
MW201.61 g/mol
LogP1.13
Rot. Bonds2

About (2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid

(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid (PubChem CID 11401421) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid
PubChem CID11401421
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1
InChIKeyFLZDFFKRJPLFGS-ZETCQYMHSA-N
XLogP1.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(3,4-dihydroxyphenyl)acetic acid
CID 5310986
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
5-[(S)-amino(carboxy)methyl]-2-chlorobenzoic acid
CID 66512999
(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid
CID 130654274
2-amino-2-(4-hydroxy-3-iodophenyl)acetic acid
CID 24349
2,6-diamino-3,5-bis(3-chloro-4-hydroxyphenyl)heptan-4-one
CID 90106601
2-amino-2-(3-chloro-4-pyrrolidin-1-ylphenyl)acetic acid
CID 77128938
2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
CID 82478288
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid
CID 83893924
2-chloro-4-(1-sulfanylethyl)phenol
CID 137430767
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid (CID 11401421) is (2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid is N[C@H](C(=O)O)c1ccc(O)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid?
The InChIKey is FLZDFFKRJPLFGS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid?
(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid has a molecular weight of 201.61 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 11401421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).