4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 79525234

IUPAC4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CN(C(=O)NCC2CCC(C(=O)O)CC2)CCO1
InChIInChI=1S/C14H24N2O4/c1-10-9-16(6-7-20-10)14(19)15-8-11-2-4-12(5-3-11)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyXVCWHAGCXNIVRN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.31
Rot. Bonds3

About 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525234) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79525234
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CN(C(=O)NCC2CCC(C(=O)O)CC2)CCO1
InChIInChI=1S/C14H24N2O4/c1-10-9-16(6-7-20-10)14(19)15-8-11-2-4-12(5-3-11)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyXVCWHAGCXNIVRN-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[[(2,6-dimethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524647
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525817
4-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79671135
4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525376
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
N-(2-cyclopentylethyl)-2-methylmorpholine-4-carboxamide
CID 78892468
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 43135712
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 107419874

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79525234) is 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1CN(C(=O)NCC2CCC(C(=O)O)CC2)CCO1.
What is the InChIKey of 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is XVCWHAGCXNIVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-9-16(6-7-20-10)14(19)15-8-11-2-4-12(5-3-11)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).