4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 63782308

IUPAC4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCC2CCCO2)CC1
InChIInChI=1S/C14H23NO4/c16-13(15-8-7-12-2-1-9-19-12)10-3-5-11(6-4-10)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)
InChIKeyWQNNLMOMOOTYCG-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.56
Rot. Bonds5

About 4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782308) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782308
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCC2CCCO2)CC1
InChIInChI=1S/C14H23NO4/c16-13(15-8-7-12-2-1-9-19-12)10-3-5-11(6-4-10)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)
InChIKeyWQNNLMOMOOTYCG-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide
CID 66008154
N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106000950
2,2-dimethyl-3-[2-(oxolan-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835996
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
N-[2-(oxolan-2-yl)ethyl]piperidine-2-carboxamide
CID 61038739
1-benzylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 55690454
2-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463058
2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815766
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
2-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 55117010
3-bromo-N-[2-(oxolan-2-yl)ethyl]prop-2-ynamide
CID 130700315

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63782308) is 4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCC2CCCO2)CC1.
What is the InChIKey of 4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WQNNLMOMOOTYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(15-8-7-12-2-1-9-19-12)10-3-5-11(6-4-10)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18).
What are the key properties of 4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).