2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C13H21NO4 — CID 54933491

IUPAC2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCC1CCOC1
InChIInChI=1S/C13H21NO4/c15-12(14-7-9-5-6-18-8-9)10-3-1-2-4-11(10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyJXULIYSCYBWBMI-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.03
Rot. Bonds4

About 2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 54933491) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID54933491
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCC1CCOC1
InChIInChI=1S/C13H21NO4/c15-12(14-7-9-5-6-18-8-9)10-3-1-2-4-11(10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyJXULIYSCYBWBMI-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978063
2-amino-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 62825271
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
3-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550051
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 66004477
2-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79388592
4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511623
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978906
cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114092192
(2S)-N-(oxolan-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61179027

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 54933491) is 2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is JXULIYSCYBWBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(14-7-9-5-6-18-8-9)10-3-1-2-4-11(10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54933491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).