3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 63044466

IUPAC3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCCCO1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c17-13(18)10-4-3-5-11(8-10)16-14(19)15-9-12-6-1-2-7-20-12/h10-12H,1-9H2,(H,17,18)(H2,15,16,19)
InChIKeyORCHPYQHMPNQTQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.50
Rot. Bonds4

About 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 63044466) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID63044466
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCCCO1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c17-13(18)10-4-3-5-11(8-10)16-14(19)15-9-12-6-1-2-7-20-12/h10-12H,1-9H2,(H,17,18)(H2,15,16,19)
InChIKeyORCHPYQHMPNQTQ-UHFFFAOYSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032045
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
1-(azepan-3-yl)-3-(oxan-2-ylmethyl)urea
CID 117235074
3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66030722
cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320914
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700
1-cyclohexyl-3-(oxiran-2-ylmethyl)urea
CID 102548390
3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042641
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 63044466) is 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCC1CCCCO1)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is ORCHPYQHMPNQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13(18)10-4-3-5-11(8-10)16-14(19)15-9-12-6-1-2-7-20-12/h10-12H,1-9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).