benzyl 2-amino-2-hydroxypropanoate

C10H13NO3 — CID 67630480

IUPACbenzyl 2-amino-2-hydroxypropanoate
SMILESCC(N)(O)C(=O)OCc1ccccc1
InChIInChI=1S/C10H13NO3/c1-10(11,13)9(12)14-7-8-5-3-2-4-6-8/h2-6,13H,7,11H2,1H3
InChIKeyFZDDRNGOZXELDZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.40
Rot. Bonds3

About benzyl 2-amino-2-hydroxypropanoate

benzyl 2-amino-2-hydroxypropanoate (PubChem CID 67630480) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is benzyl 2-amino-2-hydroxypropanoate.

Molecular Properties

Compound Namebenzyl 2-amino-2-hydroxypropanoate
PubChem CID67630480
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namebenzyl 2-amino-2-hydroxypropanoate
SMILESCC(N)(O)C(=O)OCc1ccccc1
InChIInChI=1S/C10H13NO3/c1-10(11,13)9(12)14-7-8-5-3-2-4-6-8/h2-6,13H,7,11H2,1H3
InChIKeyFZDDRNGOZXELDZ-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl 2-amino-2-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate
CID 174747331
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
benzyl 2-amino-2-phenylpropanoate
CID 54322564
benzyl 2-amino-2-methylpentanoate
CID 61276990
3-O-benzyl 1-O-(2,2-dimethylpropanoyl) 2-amino-2-methylpropanedioate
CID 151857946
benzyl 2-tert-butyl-3,3-dimethylbutanoate
CID 130279218
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279
benzyl 3-amino-2-iodo-2-methylpropanoate
CID 146339720
benzyl 4-amino-2,2-dimethyl-4-oxobutanoate
CID 66875161
benzyl 4-amino-2,2,4-trimethyl-3-oxohexanoate
CID 170127579
acetic acid;benzyl 2,2,2-trifluoroacetate
CID 157158802
(2S)-2-(dimethylamino)-2-methyl-3-oxo-3-phenylmethoxypropanoic acid
CID 67327544

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-2-hydroxypropanoate?
The IUPAC name of benzyl 2-amino-2-hydroxypropanoate (CID 67630480) is benzyl 2-amino-2-hydroxypropanoate.
What is the SMILES notation for benzyl 2-amino-2-hydroxypropanoate?
The canonical SMILES for benzyl 2-amino-2-hydroxypropanoate is CC(N)(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-2-hydroxypropanoate?
The InChIKey is FZDDRNGOZXELDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(11,13)9(12)14-7-8-5-3-2-4-6-8/h2-6,13H,7,11H2,1H3.
What are the key properties of benzyl 2-amino-2-hydroxypropanoate?
benzyl 2-amino-2-hydroxypropanoate has a molecular weight of 195.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-2-hydroxypropanoate is sourced from PubChem (CID 67630480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).