(2S)-2-(1-phenylpropylamino)propanoic acid

C12H17NO2 — CID 90916236

IUPAC(2S)-2-(1-phenylpropylamino)propanoic acid
SMILESCCC(N[C@@H](C)C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-11(13-9(2)12(14)15)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3,(H,14,15)/t9-,11?/m0/s1
InChIKeyMMHRKONOFYZJID-FTNKSUMCSA-N
MW207.27 g/mol
LogP2.20
Rot. Bonds5

About (2S)-2-(1-phenylpropylamino)propanoic acid

(2S)-2-(1-phenylpropylamino)propanoic acid (PubChem CID 90916236) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2S)-2-(1-phenylpropylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1-phenylpropylamino)propanoic acid
PubChem CID90916236
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2S)-2-(1-phenylpropylamino)propanoic acid
SMILESCCC(N[C@@H](C)C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-11(13-9(2)12(14)15)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3,(H,14,15)/t9-,11?/m0/s1
InChIKeyMMHRKONOFYZJID-FTNKSUMCSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(1-phenylpropylamino)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

2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
CID 61499813
2-[(3-cyano-1-phenylpropyl)amino]propanoic acid
CID 19096755
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
2-(1-phenylbutylamino)propanamide
CID 43401102
(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
CID 29012459
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-phenylpropylamino)propanoic acid?
The IUPAC name of (2S)-2-(1-phenylpropylamino)propanoic acid (CID 90916236) is (2S)-2-(1-phenylpropylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1-phenylpropylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1-phenylpropylamino)propanoic acid is CCC(N[C@@H](C)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(1-phenylpropylamino)propanoic acid?
The InChIKey is MMHRKONOFYZJID-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-11(13-9(2)12(14)15)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3,(H,14,15)/t9-,11?/m0/s1.
What are the key properties of (2S)-2-(1-phenylpropylamino)propanoic acid?
(2S)-2-(1-phenylpropylamino)propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-phenylpropylamino)propanoic acid is sourced from PubChem (CID 90916236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).