2-amino-4-hydroxy-4-phenylbutanoic acid

C10H13NO3 — CID 11997564

IUPAC2-amino-4-hydroxy-4-phenylbutanoic acid
SMILESNC(CC(O)c1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
InChIKeyWQLIGWIJZBHBFM-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.52
Rot. Bonds4

About 2-amino-4-hydroxy-4-phenylbutanoic acid

2-amino-4-hydroxy-4-phenylbutanoic acid (PubChem CID 11997564) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-4-hydroxy-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-4-phenylbutanoic acid
PubChem CID11997564
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-4-hydroxy-4-phenylbutanoic acid
SMILESNC(CC(O)c1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
InChIKeyWQLIGWIJZBHBFM-UHFFFAOYSA-N
XLogP0.52
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride
CID 71757982
2-amino-4-phenylpentanoic acid;hydrochloride
CID 70445326
2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol
CID 174962232
2-amino-4-(3-hydroxy-3-phenylpropyl)sulfanylbutanoic acid
CID 170770598
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
4-hydroxy-2-methoxycarbonyl-4-phenylbutanoic acid
CID 103973363
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
(2S)-2-aminopentanedioic acid;2-hydroxy-2-phenylacetic acid
CID 70362572
(2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid
CID 10339084
(2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid
CID 22848160
2-amino-4-hydroxy-4-phenylmethoxybutanoic acid
CID 130311408
(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
CID 171237918

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-4-phenylbutanoic acid?
The IUPAC name of 2-amino-4-hydroxy-4-phenylbutanoic acid (CID 11997564) is 2-amino-4-hydroxy-4-phenylbutanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-4-phenylbutanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-4-phenylbutanoic acid is NC(CC(O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-4-phenylbutanoic acid?
The InChIKey is WQLIGWIJZBHBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14).
What are the key properties of 2-amino-4-hydroxy-4-phenylbutanoic acid?
2-amino-4-hydroxy-4-phenylbutanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-4-phenylbutanoic acid is sourced from PubChem (CID 11997564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).