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

C16H22N2O3 — CID 60839363

IUPAC3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCCN(C(=O)CN(CCC(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-18(14-6-4-3-5-7-14)15(19)12-17(13-8-9-13)11-10-16(20)21/h3-7,13H,2,8-12H2,1H3,(H,20,21)
InChIKeyGIHHYKPXYFXOJQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds8

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

3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 60839363) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID60839363
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCCN(C(=O)CN(CCC(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-18(14-6-4-3-5-7-14)15(19)12-17(13-8-9-13)11-10-16(20)21/h3-7,13H,2,8-12H2,1H3,(H,20,21)
InChIKeyGIHHYKPXYFXOJQ-UHFFFAOYSA-N
XLogP1.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119932706
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CID 119921389
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
CID 134001322
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
N-cyclopropyl-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8908925
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
N-benzyl-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84562422
N-[2-(N-ethylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47327202
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid (CID 60839363) is 3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid is CCN(C(=O)CN(CCC(=O)O)C1CC1)c1ccccc1.
What is the InChIKey of 3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is GIHHYKPXYFXOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-18(14-6-4-3-5-7-14)15(19)12-17(13-8-9-13)11-10-16(20)21/h3-7,13H,2,8-12H2,1H3,(H,20,21).
What are the key properties of 3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid?
3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 60839363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).