phenyl 3-amino-2-hydroxybutanoate

C10H13NO3 — CID 174562761

IUPACphenyl 3-amino-2-hydroxybutanoate
SMILESCC(N)C(O)C(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO3/c1-7(11)9(12)10(13)14-8-5-3-2-4-6-8/h2-7,9,12H,11H2,1H3
InChIKeyYSDYLIYHQPSFFE-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.30
Rot. Bonds3

About phenyl 3-amino-2-hydroxybutanoate

phenyl 3-amino-2-hydroxybutanoate (PubChem CID 174562761) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is phenyl 3-amino-2-hydroxybutanoate.

Molecular Properties

Compound Namephenyl 3-amino-2-hydroxybutanoate
PubChem CID174562761
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namephenyl 3-amino-2-hydroxybutanoate
SMILESCC(N)C(O)C(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO3/c1-7(11)9(12)10(13)14-8-5-3-2-4-6-8/h2-7,9,12H,11H2,1H3
InChIKeyYSDYLIYHQPSFFE-UHFFFAOYSA-N
XLogP0.30
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-hydroxy-3-methylbutanoate
CID 21199267
phenyl (2S)-2-methoxypropanoate
CID 12621314
phenyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10978067
phenyl 2-(hydroxyamino)propanoate
CID 88707618
phenyl 2-bromo-3-methylbutanoate
CID 11832060
1-O-(diaminomethylideneamino) 4-O-phenyl 2,3-dihydroxybutanedioate
CID 88685199
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
(2R,3S)-2,3-bis(phenoxycarbonyl)butanedioic acid
CID 1268149
diphenyl benzene-1,2-dicarboxylate;trihydroxy(methyl)phosphanium
CID 158752634
phenyl 2-ethyl-4-hydroxypentanoate
CID 174662831
diphenyl 2-methylbutanedioate
CID 19419895
phenyl 2-hydroxypentanoate
CID 141237122

Frequently Asked Questions

What is the IUPAC name of phenyl 3-amino-2-hydroxybutanoate?
The IUPAC name of phenyl 3-amino-2-hydroxybutanoate (CID 174562761) is phenyl 3-amino-2-hydroxybutanoate.
What is the SMILES notation for phenyl 3-amino-2-hydroxybutanoate?
The canonical SMILES for phenyl 3-amino-2-hydroxybutanoate is CC(N)C(O)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 3-amino-2-hydroxybutanoate?
The InChIKey is YSDYLIYHQPSFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(11)9(12)10(13)14-8-5-3-2-4-6-8/h2-7,9,12H,11H2,1H3.
What are the key properties of phenyl 3-amino-2-hydroxybutanoate?
phenyl 3-amino-2-hydroxybutanoate has a molecular weight of 195.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-amino-2-hydroxybutanoate is sourced from PubChem (CID 174562761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).