3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid

C16H22N2O3 — CID 60838182

IUPAC3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCCc1cccc(NC(=O)CN(CCC(=O)O)C2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-2-12-4-3-5-13(10-12)17-15(19)11-18(14-6-7-14)9-8-16(20)21/h3-5,10,14H,2,6-9,11H2,1H3,(H,17,19)(H,20,21)
InChIKeySEJFTWJNEILKBJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.13
Rot. Bonds8

About 3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid

3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 60838182) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID60838182
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCCc1cccc(NC(=O)CN(CCC(=O)O)C2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-2-12-4-3-5-13(10-12)17-15(19)11-18(14-6-7-14)9-8-16(20)21/h3-5,10,14H,2,6-9,11H2,1H3,(H,17,19)(H,20,21)
InChIKeySEJFTWJNEILKBJ-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839707
N-(3-ethylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607180
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301
methyl 3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzoate
CID 84567361
N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61450066
3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340620
3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
CID 46643223
N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61453328
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84568147
2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide
CID 164663289
2-[carboxymethyl-[(3-ethylphenyl)carbamoyl]amino]acetic acid
CID 63645936
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 84567313

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid (CID 60838182) is 3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid is CCc1cccc(NC(=O)CN(CCC(=O)O)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is SEJFTWJNEILKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-4-3-5-13(10-12)17-15(19)11-18(14-6-7-14)9-8-16(20)21/h3-5,10,14H,2,6-9,11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid?
3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 60838182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).