phenyl 4-amino-2-hydroxybutanoate

C10H13NO3 — CID 54754307

IUPACphenyl 4-amino-2-hydroxybutanoate
SMILESNCCC(O)C(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO3/c11-7-6-9(12)10(13)14-8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2
InChIKeyGAFBNTUYCZYHBN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.30
Rot. Bonds4

About phenyl 4-amino-2-hydroxybutanoate

phenyl 4-amino-2-hydroxybutanoate (PubChem CID 54754307) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is phenyl 4-amino-2-hydroxybutanoate.

Molecular Properties

Compound Namephenyl 4-amino-2-hydroxybutanoate
PubChem CID54754307
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namephenyl 4-amino-2-hydroxybutanoate
SMILESNCCC(O)C(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO3/c11-7-6-9(12)10(13)14-8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2
InChIKeyGAFBNTUYCZYHBN-UHFFFAOYSA-N
XLogP0.30
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-hydroxypentanoate
CID 141237122
4-O-(3-hydroxy-4-oxo-4-phenoxybutyl) 1-O-methyl but-2-enedioate
CID 69125293
4-amino-2-hydroxy-1-phenylbutan-1-one
CID 57182499
2-phenoxycarbonylpentanoic acid
CID 54073131
phenyl 3-aminopropanoate;hydrochloride
CID 67243612
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
2-(2-aminoethyl)-4-phenoxybutanoic acid
CID 104680821
(2R,3S)-2,3-bis(phenoxycarbonyl)butanedioic acid
CID 1268149
phenyl 2-hydroxy-3-methylbutanoate
CID 21199267
(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate
CID 107837622
phenyl 2-(aminomethyl)butanoate
CID 174556274
phenyl 4-aminobutanoate
CID 54753951

Frequently Asked Questions

What is the IUPAC name of phenyl 4-amino-2-hydroxybutanoate?
The IUPAC name of phenyl 4-amino-2-hydroxybutanoate (CID 54754307) is phenyl 4-amino-2-hydroxybutanoate.
What is the SMILES notation for phenyl 4-amino-2-hydroxybutanoate?
The canonical SMILES for phenyl 4-amino-2-hydroxybutanoate is NCCC(O)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 4-amino-2-hydroxybutanoate?
The InChIKey is GAFBNTUYCZYHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-7-6-9(12)10(13)14-8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2.
What are the key properties of phenyl 4-amino-2-hydroxybutanoate?
phenyl 4-amino-2-hydroxybutanoate has a molecular weight of 195.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-amino-2-hydroxybutanoate is sourced from PubChem (CID 54754307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).