4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C16H26N2O3 — CID 115281229

IUPAC4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)CNC1CCC(C(=O)O)CC1)C1=CCCC1
InChIInChI=1S/C16H26N2O3/c1-2-18(14-5-3-4-6-14)15(19)11-17-13-9-7-12(8-10-13)16(20)21/h5,12-13,17H,2-4,6-11H2,1H3,(H,20,21)
InChIKeyQKGHYEHLYWJRBW-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.14
Rot. Bonds6

About 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 115281229) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID115281229
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)CNC1CCC(C(=O)O)CC1)C1=CCCC1
InChIInChI=1S/C16H26N2O3/c1-2-18(14-5-3-4-6-14)15(19)11-17-13-9-7-12(8-10-13)16(20)21/h5,12-13,17H,2-4,6-11H2,1H3,(H,20,21)
InChIKeyQKGHYEHLYWJRBW-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxybutyl]amino]propanoyl]-2,3,3a,6,7,7a-hexahydroindole-2-carboxylic acid
CID 176514215
(2S)-1-[(2S)-2-aminopropanoyl]-2,3,3a,4,5,6-hexahydroindole-2-carboxylic acid
CID 69432855
4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene
CID 142950436
4-[[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808417
4-(Cyclohex-3-ene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 60808865
4-[(2-Cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 60809027
4-[[1-Oxo-1-(prop-2-enylamino)propan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 60809074
4-[[2-[Ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809215
4-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60810187
3-[1-[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 61705559
3-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63042613
4-(Cyclopent-3-ene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64767616

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 115281229) is 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is CCN(C(=O)CNC1CCC(C(=O)O)CC1)C1=CCCC1.
What is the InChIKey of 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QKGHYEHLYWJRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-18(14-5-3-4-6-14)15(19)11-17-13-9-7-12(8-10-13)16(20)21/h5,12-13,17H,2-4,6-11H2,1H3,(H,20,21).
What are the key properties of 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115281229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).