3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid

C12H15NO4 — CID 60989999

IUPAC3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C(O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-13(8-7-10(14)15)12(17)11(16)9-5-3-2-4-6-9/h2-6,11,16H,7-8H2,1H3,(H,14,15)
InChIKeyJIJGITHNPLOWCB-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.65
Rot. Bonds5

About 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid

3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid (PubChem CID 60989999) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
PubChem CID60989999
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C(O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-13(8-7-10(14)15)12(17)11(16)9-5-3-2-4-6-9/h2-6,11,16H,7-8H2,1H3,(H,14,15)
InChIKeyJIJGITHNPLOWCB-UHFFFAOYSA-N
XLogP0.65
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid 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

N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936
3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
CID 60832767
3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
CID 99849415
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072
3-[2,2-diphenylethyl(methyl)amino]propanoic acid
CID 107292983
3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
CID 119362623
2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide
CID 95193542
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237
2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 110879948

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid (CID 60989999) is 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)C(O)c1ccccc1.
What is the InChIKey of 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid?
The InChIKey is JIJGITHNPLOWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13(8-7-10(14)15)12(17)11(16)9-5-3-2-4-6-9/h2-6,11,16H,7-8H2,1H3,(H,14,15).
What are the key properties of 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid?
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid is sourced from PubChem (CID 60989999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).