2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid

C14H23NO5 — CID 60949039

IUPAC2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)CCCN(C)C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H23NO5/c1-15(9-5-8-12(16)20-2)13(17)10-6-3-4-7-11(10)14(18)19/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyJGAVLCDDZFGNPV-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.29
Rot. Bonds6

About 2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 60949039) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID60949039
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)CCCN(C)C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H23NO5/c1-15(9-5-8-12(16)20-2)13(17)10-6-3-4-7-11(10)14(18)19/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyJGAVLCDDZFGNPV-UHFFFAOYSA-N
XLogP1.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[3-methoxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 94912240
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978420
methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
CID 79600655
(2R,5S)-5-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944882
methyl 4-[methyl(oxane-2-carbonyl)amino]butanoate
CID 55048143
cis-(1S,2R)-2-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092193
2-[2-ethoxyethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81059586
2-[2-hydroxyethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978359
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
cis-(1S,2R)-2-[2-methoxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 112754415
methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate
CID 47981255

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 60949039) is 2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid is COC(=O)CCCN(C)C(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JGAVLCDDZFGNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-15(9-5-8-12(16)20-2)13(17)10-6-3-4-7-11(10)14(18)19/h10-11H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60949039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).