3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid

C15H22N2O3 — CID 61181082

IUPAC3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H22N2O3/c1-4-17(10-9-14(18)19)15(20)16-13-8-6-5-7-12(13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGADAWQRIRDZFCF-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.14
Rot. Bonds6

About 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid

3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid (PubChem CID 61181082) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
PubChem CID61181082
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H22N2O3/c1-4-17(10-9-14(18)19)15(20)16-13-8-6-5-7-12(13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGADAWQRIRDZFCF-UHFFFAOYSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]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

1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea
CID 108989019
3-[(2-bromophenyl)carbamoyl-ethylamino]propanoic acid
CID 61190821
3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273985
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 86909917
3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61181189
3-[(4-bromo-2-ethylphenyl)carbamoyl-ethylamino]propanoic acid
CID 81289269
3-[(5-bromo-2-methylphenyl)carbamoyl-ethylamino]propanoic acid
CID 61205971
methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate
CID 61011322
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067
2-[N-(2-hydroxyethyl)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 110880303

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid (CID 61181082) is 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
The InChIKey is GADAWQRIRDZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-17(10-9-14(18)19)15(20)16-13-8-6-5-7-12(13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61181082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).