3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid

C16H24N2O3 — CID 104592016

IUPAC3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid
SMILESCCN(C(=O)NCC(C)c1ccccc1)C(C)CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-18(13(3)10-15(19)20)16(21)17-11-12(2)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyRBBAYPGBXLUQLF-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.68
Rot. Bonds7

About 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid

3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid (PubChem CID 104592016) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid
PubChem CID104592016
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid
SMILESCCN(C(=O)NCC(C)c1ccccc1)C(C)CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-18(13(3)10-15(19)20)16(21)17-11-12(2)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyRBBAYPGBXLUQLF-UHFFFAOYSA-N
XLogP2.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic 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

1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea
CID 97028200
3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 62822271
3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
CID 62827671
3-[ethyl-(2-phenylsulfanylacetyl)amino]butanoic acid
CID 62822273
3-[(4-chlorophenyl)methylcarbamoyl-ethylamino]butanoic acid
CID 62826590
3-[ethyl-[2-(2-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 62822098
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937
3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
CID 62821545
3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid
CID 62827708
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid (CID 104592016) is 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid is CCN(C(=O)NCC(C)c1ccccc1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid?
The InChIKey is RBBAYPGBXLUQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18(13(3)10-15(19)20)16(21)17-11-12(2)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid?
3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 104592016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).