4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid

C11H19NO3 — CID 974695

IUPAC4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid
SMILESCN(C(=O)CCC(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-12(9-5-3-2-4-6-9)10(13)7-8-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyFURZLMCFJOLPME-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds4

About 4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid

4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid (PubChem CID 974695) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid
PubChem CID974695
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid
SMILESCN(C(=O)CCC(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-12(9-5-3-2-4-6-9)10(13)7-8-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyFURZLMCFJOLPME-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid (CID 974695) is 4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid is CN(C(=O)CCC(=O)O)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid?
The InChIKey is FURZLMCFJOLPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12(9-5-3-2-4-6-9)10(13)7-8-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid?
4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 974695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).