2-amino-2-hydroxy-2-phenylacetic acid

C8H9NO3 — CID 19376190

IUPAC2-amino-2-hydroxy-2-phenylacetic acid
SMILESNC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO3/c9-8(12,7(10)11)6-4-2-1-3-5-6/h1-5,12H,9H2,(H,10,11)
InChIKeyGEZVQLBTOKKPBO-UHFFFAOYSA-N
MW167.16 g/mol
LogP-0.12
Rot. Bonds2

About 2-amino-2-hydroxy-2-phenylacetic acid

2-amino-2-hydroxy-2-phenylacetic acid (PubChem CID 19376190) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-amino-2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Name2-amino-2-hydroxy-2-phenylacetic acid
PubChem CID19376190
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-amino-2-hydroxy-2-phenylacetic acid
SMILESNC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO3/c9-8(12,7(10)11)6-4-2-1-3-5-6/h1-5,12H,9H2,(H,10,11)
InChIKeyGEZVQLBTOKKPBO-UHFFFAOYSA-N
XLogP-0.12
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

L-Phenylglycine
CID 99291
Phenylglycine, D-
CID 70134
2-Phenylglycine
CID 3866
(2S)-2-amino-2-phenylpropanoic acid
CID 853461
2-Amino-2-phenylpropanoic acid
CID 31722
2-Amino-2-phenylbutyric acid
CID 89317
(R)-2-phenyl-alanine
CID 853460
DL-2-Phenyl glycine hydrochloride
CID 3015246
(R)-2-amino-2-hydroxy-3-phenylpropanoic acid
CID 21118764
(2R)-3-amino-2-hydroxy-2-phenylpropanoic acid
CID 447184
(2R)-2-amino-2-phenylbutanoic acid
CID 716481
erythro-Phenylserinol
CID 10104160

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-hydroxy-2-phenylacetic acid?
The IUPAC name of 2-amino-2-hydroxy-2-phenylacetic acid (CID 19376190) is 2-amino-2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for 2-amino-2-hydroxy-2-phenylacetic acid?
The canonical SMILES for 2-amino-2-hydroxy-2-phenylacetic acid is NC(O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-2-hydroxy-2-phenylacetic acid?
The InChIKey is GEZVQLBTOKKPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c9-8(12,7(10)11)6-4-2-1-3-5-6/h1-5,12H,9H2,(H,10,11).
What are the key properties of 2-amino-2-hydroxy-2-phenylacetic acid?
2-amino-2-hydroxy-2-phenylacetic acid has a molecular weight of 167.16 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 19376190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).