3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid

C12H17NO3 — CID 4299373

IUPAC3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
SMILESCC(NCCC(=O)O)C(O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-9(13-8-7-11(14)15)12(16)10-5-3-2-4-6-10/h2-6,9,12-13,16H,7-8H2,1H3,(H,14,15)
InChIKeyDDGBWYKIAUAJAT-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.17
Rot. Bonds6

About 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid

3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid (PubChem CID 4299373) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
PubChem CID4299373
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
SMILESCC(NCCC(=O)O)C(O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-9(13-8-7-11(14)15)12(16)10-5-3-2-4-6-10/h2-6,9,12-13,16H,7-8H2,1H3,(H,14,15)
InChIKeyDDGBWYKIAUAJAT-UHFFFAOYSA-N
XLogP1.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]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

3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
3-[[1-(4-acetamidophenyl)-1-hydroxypropan-2-yl]amino]propanoic acid
CID 82314646
3-(1-phenylethylamino)propanoic acid
CID 2826777
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
1-(3-hydroxyphenyl)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]propan-1-one;hydrochloride
CID 122190812
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one
CID 110182601
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one
CID 110183254
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
3-[[(1R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
CID 6321246

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid (CID 4299373) is 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid is CC(NCCC(=O)O)C(O)c1ccccc1.
What is the InChIKey of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid?
The InChIKey is DDGBWYKIAUAJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(13-8-7-11(14)15)12(16)10-5-3-2-4-6-10/h2-6,9,12-13,16H,7-8H2,1H3,(H,14,15).
What are the key properties of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid?
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid is sourced from PubChem (CID 4299373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).