3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid

C16H24N2O3 — CID 62854117

IUPAC3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCC(NC(=O)N(CC)CC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-4-14(13-9-7-6-8-10-13)17-16(21)18(5-2)11-12(3)15(19)20/h6-10,12,14H,4-5,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyBLEYGGNUVTVQNH-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.89
Rot. Bonds7

About 3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid

3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid (PubChem CID 62854117) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid
PubChem CID62854117
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCC(NC(=O)N(CC)CC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-4-14(13-9-7-6-8-10-13)17-16(21)18(5-2)11-12(3)15(19)20/h6-10,12,14H,4-5,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyBLEYGGNUVTVQNH-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(1-thiophen-2-ylpropylcarbamoyl)amino]-2-methylpropanoic acid
CID 62853749
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103837096
3-[ethyl-[1-(4-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851777
3-[ethyl-[1-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853029
3-[1-(4-chlorophenyl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62853388
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-[ethyl(phenoxycarbonyl)amino]-2-methylpropanoic acid
CID 62827922
3-[butan-2-yl(1-phenylethyl)amino]-2-methylpropanoic acid
CID 82328455
3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62825581
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid (CID 62854117) is 3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid is CCC(NC(=O)N(CC)CC(C)C(=O)O)c1ccccc1.
What is the InChIKey of 3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid?
The InChIKey is BLEYGGNUVTVQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-14(13-9-7-6-8-10-13)17-16(21)18(5-2)11-12(3)15(19)20/h6-10,12,14H,4-5,11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid?
3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62854117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).