4-[cyclohexyl(methyl)amino]-4-oxobutanoate

C11H18NO3- — CID 6993050

IUPAC4-[cyclohexyl(methyl)amino]-4-oxobutanoate
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)/p-1
InChIKeyFURZLMCFJOLPME-UHFFFAOYSA-M
MW212.27 g/mol
LogP0.31
Rot. Bonds4

About 4-[cyclohexyl(methyl)amino]-4-oxobutanoate

4-[cyclohexyl(methyl)amino]-4-oxobutanoate (PubChem CID 6993050) has the molecular formula C11H18NO3- and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-4-oxobutanoate
PubChem CID6993050
Molecular FormulaC11H18NO3-
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name4-[cyclohexyl(methyl)amino]-4-oxobutanoate
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)/p-1
InChIKeyFURZLMCFJOLPME-UHFFFAOYSA-M
XLogP0.31
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Cyclohexyl(methyl)amino]-4-oxobutanoic acid
CID 974695
4-(2,6-Dimethylpiperidin-1-yl)-4-oxo-butyric acid
CID 3102906
4-(Dicyclohexylamino)-4-oxobutanoic acid
CID 586586
Methyl 4-[cyclohexyl(methyl)amino]-3-fluoro-3-methyl-4-oxobutanoate
CID 161884240
4-(Dicyclohexylamino)-4-oxobutanoate
CID 40784781
Succinic acid, monoamide, N,N-dicyclohexyl-, propyl ester
CID 91702037
Succinic acid, monoamide, N,N-dicyclohexyl-, butyl ester
CID 91702038
Succinic acid, monoamide, N,N-dicyclohexyl-, ethyl ester
CID 91713394
Methyl 4-(dipropan-2-ylamino)-4-oxobutanoate
CID 245461
4-[(2R,6S)-2,6-Dimethylpiperidin-1-YL]-4-oxobutanoic acid
CID 822867
4-(2-Ethylpiperidin-1-yl)-4-oxobutanoic acid
CID 43213006
4-[Octyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 54105769

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-4-oxobutanoate?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-4-oxobutanoate (CID 6993050) is 4-[cyclohexyl(methyl)amino]-4-oxobutanoate.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-4-oxobutanoate?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-4-oxobutanoate is CN(C(=O)CCC(=O)[O-])C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-4-oxobutanoate?
The InChIKey is FURZLMCFJOLPME-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-[cyclohexyl(methyl)amino]-4-oxobutanoate?
4-[cyclohexyl(methyl)amino]-4-oxobutanoate has a molecular weight of 212.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-4-oxobutanoate is sourced from PubChem (CID 6993050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).