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

C12H20N2O3 — CID 90424931

IUPAC3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
SMILESO=C1NCC1N(CCCC1CCCC1)C(=O)O
InChIInChI=1S/C12H20N2O3/c15-11-10(8-13-11)14(12(16)17)7-3-6-9-4-1-2-5-9/h9-10H,1-8H2,(H,13,15)(H,16,17)
InChIKeyAYWFAJQFPIEVFZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.44
Rot. Bonds5

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

3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid (PubChem CID 90424931) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid.

Molecular Properties

Compound Name3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
PubChem CID90424931
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
SMILESO=C1NCC1N(CCCC1CCCC1)C(=O)O
InChIInChI=1S/C12H20N2O3/c15-11-10(8-13-11)14(12(16)17)7-3-6-9-4-1-2-5-9/h9-10H,1-8H2,(H,13,15)(H,16,17)
InChIKeyAYWFAJQFPIEVFZ-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424416
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
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 42699394
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
[4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid
CID 118915605

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
The IUPAC name of 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid (CID 90424931) is 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid.
What is the SMILES notation for 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
The canonical SMILES for 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid is O=C1NCC1N(CCCC1CCCC1)C(=O)O.
What is the InChIKey of 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
The InChIKey is AYWFAJQFPIEVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11-10(8-13-11)14(12(16)17)7-3-6-9-4-1-2-5-9/h9-10H,1-8H2,(H,13,15)(H,16,17).
What are the key properties of 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid has a molecular weight of 240.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid is sourced from PubChem (CID 90424931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).