3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid

C14H19NO3 — CID 82329103

IUPAC3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid
SMILESCC(=O)CN(CCC(=O)O)CCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-12(16)11-15(10-8-14(17)18)9-7-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,17,18)
InChIKeyKPDXVNDKSRDURO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.59
Rot. Bonds8

About 3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid

3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid (PubChem CID 82329103) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid
PubChem CID82329103
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid
SMILESCC(=O)CN(CCC(=O)O)CCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-12(16)11-15(10-8-14(17)18)9-7-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,17,18)
InChIKeyKPDXVNDKSRDURO-UHFFFAOYSA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-oxopropyl(2-phenylethyl)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-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid
CID 82330379
(2R)-2-aminopentanedioic acid;3-[carboxymethyl(2-phenylethyl)amino]propanoic acid
CID 70090053
3-[2-oxopropyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82329113
azane;3-(dibenzylamino)propanoic acid
CID 162310692
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
butanoic acid;N,N-dimethyl-2-phenylethanamine
CID 174426919
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
3-[benzyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330019
lanthanum;3-phenylpropanoic acid
CID 174887955
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid?
The IUPAC name of 3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid (CID 82329103) is 3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid?
The canonical SMILES for 3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid is CC(=O)CN(CCC(=O)O)CCc1ccccc1.
What is the InChIKey of 3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid?
The InChIKey is KPDXVNDKSRDURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-12(16)11-15(10-8-14(17)18)9-7-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,17,18).
What are the key properties of 3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid?
3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 82329103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).