4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 61203490

IUPAC4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCC(C(=O)O)CC1)C1CCOCC1
InChIInChI=1S/C14H24N2O4/c1-16(12-6-8-20-9-7-12)14(19)15-11-4-2-10(3-5-11)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyHXRJTOHZBMHXAG-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds3

About 4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61203490) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61203490
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCC(C(=O)O)CC1)C1CCOCC1
InChIInChI=1S/C14H24N2O4/c1-16(12-6-8-20-9-7-12)14(19)15-11-4-2-10(3-5-11)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyHXRJTOHZBMHXAG-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024515
4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023782
4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024286
1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760744
1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760727
4-(oxan-4-ylamino)cyclohexane-1-carboxylic acid
CID 63936456
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
CID 43611566
4-[[(3S)-oxolan-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 166261092
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202146

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61203490) is 4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)NC1CCC(C(=O)O)CC1)C1CCOCC1.
What is the InChIKey of 4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HXRJTOHZBMHXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-16(12-6-8-20-9-7-12)14(19)15-11-4-2-10(3-5-11)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61203490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).