3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid

C13H22N2O3 — CID 90424416

IUPAC3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid
SMILESO=C1NCC1N(CCCC1CCCCC1)C(=O)O
InChIInChI=1S/C13H22N2O3/c16-12-11(9-14-12)15(13(17)18)8-4-7-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,16)(H,17,18)
InChIKeyHQKQSQRACPETTO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.83
Rot. Bonds5

About 3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid

3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid (PubChem CID 90424416) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid.

Molecular Properties

Compound Name3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid
PubChem CID90424416
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid
SMILESO=C1NCC1N(CCCC1CCCCC1)C(=O)O
InChIInChI=1S/C13H22N2O3/c16-12-11(9-14-12)15(13(17)18)8-4-7-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,16)(H,17,18)
InChIKeyHQKQSQRACPETTO-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424931
2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 118915519
hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 90425760
hexyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424537
(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid
CID 90425035
5-cyclohexyl-N-(2-oxoazetidin-3-yl)pentanamide
CID 90425798
6-cyclohexyl-N-(2-oxoazetidin-3-yl)hexanamide
CID 90426150
6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide
CID 86273996
2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid
CID 126603056
5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 86282482
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 42699394
2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
CID 70554590

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
The IUPAC name of 3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid (CID 90424416) is 3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid.
What is the SMILES notation for 3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
The canonical SMILES for 3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid is O=C1NCC1N(CCCC1CCCCC1)C(=O)O.
What is the InChIKey of 3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
The InChIKey is HQKQSQRACPETTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12-11(9-14-12)15(13(17)18)8-4-7-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,16)(H,17,18).
What are the key properties of 3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid has a molecular weight of 254.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid is sourced from PubChem (CID 90424416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).