4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid

C14H24N2O4 — CID 115292782

IUPAC4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCOCC1)C1CCCCC1
InChIInChI=1S/C14H24N2O4/c1-16(11-5-3-2-4-6-11)13(19)15-14(12(17)18)7-9-20-10-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyOJWOLWJVUDUWFN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.59
Rot. Bonds3

About 4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid

4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid (PubChem CID 115292782) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
PubChem CID115292782
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCOCC1)C1CCCCC1
InChIInChI=1S/C14H24N2O4/c1-16(11-5-3-2-4-6-11)13(19)15-14(12(17)18)7-9-20-10-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyOJWOLWJVUDUWFN-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292842
1-[[methyl(oxan-4-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61202972
4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
CID 82742829
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257
4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115292903
4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115293279
1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62547368
4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292961
4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide
CID 115293762
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
2-[1-[[cyclohexyl(methyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846087

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid (CID 115292782) is 4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid is CN(C(=O)NC1(C(=O)O)CCOCC1)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid?
The InChIKey is OJWOLWJVUDUWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-16(11-5-3-2-4-6-11)13(19)15-14(12(17)18)7-9-20-10-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid?
4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).