(1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate

C11H17NO4 — CID 123318865

IUPAC(1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate
SMILESCC1OC(=O)C1NC(=O)OC1(C)CCCC1
InChIInChI=1S/C11H17NO4/c1-7-8(9(13)15-7)12-10(14)16-11(2)5-3-4-6-11/h7-8H,3-6H2,1-2H3,(H,12,14)
InChIKeyGBTZOTVEDDGIFP-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.36
Rot. Bonds2

About (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate

(1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate (PubChem CID 123318865) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate.

Molecular Properties

Compound Name(1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate
PubChem CID123318865
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate
SMILESCC1OC(=O)C1NC(=O)OC1(C)CCCC1
InChIInChI=1S/C11H17NO4/c1-7-8(9(13)15-7)12-10(14)16-11(2)5-3-4-6-11/h7-8H,3-6H2,1-2H3,(H,12,14)
InChIKeyGBTZOTVEDDGIFP-UHFFFAOYSA-N
XLogP1.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

Analyze (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate 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-adamantyl N-(2-methyl-4-oxooxetan-3-yl)carbamate
CID 123227831
octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate
CID 123509341
(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
CID 59584170
bis(1-methylcyclohexyl) oxalate
CID 154101354
methyl (1-methylcycloheptyl) carbonate
CID 172553116
(3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one
CID 143291862
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide
CID 42627356
tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate
CID 130763656
(1-methylcyclopentyl) 2-methoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 118563675
tert-butyl N-[(2S)-4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxetan-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 24849148
(1-methylcyclopropyl) N-iodocarbamate
CID 148842002
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate?
The IUPAC name of (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate (CID 123318865) is (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate.
What is the SMILES notation for (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate?
The canonical SMILES for (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate is CC1OC(=O)C1NC(=O)OC1(C)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate?
The InChIKey is GBTZOTVEDDGIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7-8(9(13)15-7)12-10(14)16-11(2)5-3-4-6-11/h7-8H,3-6H2,1-2H3,(H,12,14).
What are the key properties of (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate?
(1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate has a molecular weight of 227.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate is sourced from PubChem (CID 123318865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).