1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

C13H22N2O4 — CID 16782013

IUPAC1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCCO1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O4/c16-11(17)13(6-2-1-3-7-13)15-12(18)14-9-10-5-4-8-19-10/h10H,1-9H2,(H,16,17)(H2,14,15,18)
InChIKeyLJBMCCXOGQTPIC-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.25
Rot. Bonds4

About 1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 16782013) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID16782013
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCCO1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O4/c16-11(17)13(6-2-1-3-7-13)15-12(18)14-9-10-5-4-8-19-10/h10H,1-9H2,(H,16,17)(H2,14,15,18)
InChIKeyLJBMCCXOGQTPIC-UHFFFAOYSA-N
XLogP1.25
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-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

1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61492705
1-[2-(2,2-Difluoroethoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105919093
1-(Morpholine-4-carboxamido)cyclohexanecarboxylic acid
CID 11507137
1-[Bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 11507733
1-[[2-Methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 11651797
4-[[(2-Ethoxy-2-oxoethyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 13045041
1-(3-Methoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 17793618
1-[(2-Methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 23108354
1-(Oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 60992615
1-[2-(1,3-Dioxolan-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 67181932
Propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate
CID 121282178
2-Methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16781458

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 16782013) is 1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCC1CCCO1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is LJBMCCXOGQTPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-11(17)13(6-2-1-3-7-13)15-12(18)14-9-10-5-4-8-19-10/h10H,1-9H2,(H,16,17)(H2,14,15,18).
What are the key properties of 1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 16782013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).