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

C8H8ClNO3 — CID 66510595

IUPAC(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(Cl)cc1O
InChIInChI=1S/C8H8ClNO3/c9-4-1-2-5(6(11)3-4)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1
InChIKeyDBDQNMRXEWVJOA-ZETCQYMHSA-N
MW201.61 g/mol
LogP1.13
Rot. Bonds2

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

(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid (PubChem CID 66510595) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
PubChem CID66510595
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(Cl)cc1O
InChIInChI=1S/C8H8ClNO3/c9-4-1-2-5(6(11)3-4)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1
InChIKeyDBDQNMRXEWVJOA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 77128675
(2R)-2-amino-2-(2,5-dichlorophenyl)acetic acid;hydrochloride
CID 162344521
(2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid
CID 130632401
1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium
CID 21183684
2-amino-2-(5-chloro-2-methylsulfanylphenyl)acetic acid
CID 84695213
(2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetic acid
CID 66512891
5-chloro-2-(1,2-diaminoethyl)phenol
CID 55273354
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
2-amino-2-(5-chloro-2,3-difluorophenyl)acetic acid
CID 84788280
1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one
CID 130780288
(2S)-2-amino-2-(2-chloro-4-fluorophenyl)acetic acid
CID 66510702
2-amino-2-(3-hydroxy-4-pyridinyl)acetic acid
CID 55293514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid (CID 66510595) is (2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid is N[C@H](C(=O)O)c1ccc(Cl)cc1O.
What is the InChIKey of (2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid?
The InChIKey is DBDQNMRXEWVJOA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8ClNO3/c9-4-1-2-5(6(11)3-4)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-(4-chloro-2-hydroxyphenyl)acetic acid?
(2S)-2-amino-2-(4-chloro-2-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-(4-chloro-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 66510595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).