oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate

C12H21NO4 — CID 54390356

IUPACoxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
SMILESCC(=O)C(NC(=O)OCC1CCCO1)C(C)C
InChIInChI=1S/C12H21NO4/c1-8(2)11(9(3)14)13-12(15)17-7-10-5-4-6-16-10/h8,10-11H,4-7H2,1-3H3,(H,13,15)
InChIKeyVGEUUOGADQHJMQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.51
Rot. Bonds5

About oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate

oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate (PubChem CID 54390356) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
PubChem CID54390356
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameoxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
SMILESCC(=O)C(NC(=O)OCC1CCCO1)C(C)C
InChIInChI=1S/C12H21NO4/c1-8(2)11(9(3)14)13-12(15)17-7-10-5-4-6-16-10/h8,10-11H,4-7H2,1-3H3,(H,13,15)
InChIKeyVGEUUOGADQHJMQ-UHFFFAOYSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-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

3-methyl-2-(oxolan-2-ylmethoxycarbonylamino)butanoic acid
CID 18917778
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
[(2R)-oxolan-2-yl]methyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
CID 100762559
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
CID 43386449
oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 61279683
oxiran-2-ylmethyl N-propan-2-ylcarbamate
CID 19812627
oxan-2-ylmethyl N-[1-(dimethyl-λ3-iodanyl)-1-oxobutan-2-yl]carbamate
CID 163630487
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
CID 110677926
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
O-(oxolan-2-ylmethyl) ethanethioate
CID 91101390

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate?
The IUPAC name of oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate (CID 54390356) is oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate.
What is the SMILES notation for oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate?
The canonical SMILES for oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate is CC(=O)C(NC(=O)OCC1CCCO1)C(C)C.
What is the InChIKey of oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate?
The InChIKey is VGEUUOGADQHJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(2)11(9(3)14)13-12(15)17-7-10-5-4-6-16-10/h8,10-11H,4-7H2,1-3H3,(H,13,15).
What are the key properties of oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate?
oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate has a molecular weight of 243.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate is sourced from PubChem (CID 54390356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).