heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate

C11H20N2O3 — CID 86282211

IUPACheptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate
SMILESCCCCCCCOC(=O)N[C@@H]1CNC1=O
InChIInChI=1S/C11H20N2O3/c1-2-3-4-5-6-7-16-11(15)13-9-8-12-10(9)14/h9H,2-8H2,1H3,(H,12,14)(H,13,15)/t9-/m1/s1
InChIKeyXJZMVHQSWGIMLG-SECBINFHSA-N
MW228.29 g/mol
LogP1.18
Rot. Bonds7

About heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate

heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate (PubChem CID 86282211) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Nameheptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate
PubChem CID86282211
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameheptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate
SMILESCCCCCCCOC(=O)N[C@@H]1CNC1=O
InChIInChI=1S/C11H20N2O3/c1-2-3-4-5-6-7-16-11(15)13-9-8-12-10(9)14/h9H,2-8H2,1H3,(H,12,14)(H,13,15)/t9-/m1/s1
InChIKeyXJZMVHQSWGIMLG-SECBINFHSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze heptyl N-[(3R)-2-oxoazetidin-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

[(E)-non-3-enyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 86282351
5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 86282482
octyl N-[(1S)-2-oxocyclobutyl]carbamate
CID 147728041
(4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 118933774
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate
CID 123509341
henicosyl N-aminocarbamate
CID 174861039
octyl N-aminocarbamate
CID 129323256
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
ditridecyl oxalate
CID 18377796
pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate
CID 154131640

Frequently Asked Questions

What is the IUPAC name of heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate (CID 86282211) is heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate is CCCCCCCOC(=O)N[C@@H]1CNC1=O.
What is the InChIKey of heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is XJZMVHQSWGIMLG-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-4-5-6-7-16-11(15)13-9-8-12-10(9)14/h9H,2-8H2,1H3,(H,12,14)(H,13,15)/t9-/m1/s1.
What are the key properties of heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate?
heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 86282211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).