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

C15H24N2O3 — CID 60810187

IUPAC4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CNC1CCC(C(=O)O)CC1)C1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-17(13-4-2-3-5-13)14(18)10-16-12-8-6-11(7-9-12)15(19)20/h4,11-12,16H,2-3,5-10H2,1H3,(H,19,20)
InChIKeyXEUJYPWDMDPLRO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.75
Rot. Bonds5

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

4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60810187) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60810187
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CNC1CCC(C(=O)O)CC1)C1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-17(13-4-2-3-5-13)14(18)10-16-12-8-6-11(7-9-12)15(19)20/h4,11-12,16H,2-3,5-10H2,1H3,(H,19,20)
InChIKeyXEUJYPWDMDPLRO-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 60810187) is 4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)CNC1CCC(C(=O)O)CC1)C1=CCCC1.
What is the InChIKey of 4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is XEUJYPWDMDPLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17(13-4-2-3-5-13)14(18)10-16-12-8-6-11(7-9-12)15(19)20/h4,11-12,16H,2-3,5-10H2,1H3,(H,19,20).
What are the key properties of 4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.75, 5 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(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).