methyl N-[2-(oxolan-2-yl)ethyl]carbamate

C8H15NO3 — CID 110731266

IUPACmethyl N-[2-(oxolan-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCC1CCCO1
InChIInChI=1S/C8H15NO3/c1-11-8(10)9-5-4-7-3-2-6-12-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyMGPLLQJAAIVDPM-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.91
Rot. Bonds3

About methyl N-[2-(oxolan-2-yl)ethyl]carbamate

methyl N-[2-(oxolan-2-yl)ethyl]carbamate (PubChem CID 110731266) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl N-[2-(oxolan-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(oxolan-2-yl)ethyl]carbamate
PubChem CID110731266
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl N-[2-(oxolan-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCC1CCCO1
InChIInChI=1S/C8H15NO3/c1-11-8(10)9-5-4-7-3-2-6-12-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyMGPLLQJAAIVDPM-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113053446
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
N-[2-(oxolan-2-yl)ethyl]but-2-enamide
CID 112727080
2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 62856863
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
CID 106110007
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
(2R)-2-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 95637959

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(oxolan-2-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(oxolan-2-yl)ethyl]carbamate (CID 110731266) is methyl N-[2-(oxolan-2-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(oxolan-2-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(oxolan-2-yl)ethyl]carbamate is COC(=O)NCCC1CCCO1.
What is the InChIKey of methyl N-[2-(oxolan-2-yl)ethyl]carbamate?
The InChIKey is MGPLLQJAAIVDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-8(10)9-5-4-7-3-2-6-12-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of methyl N-[2-(oxolan-2-yl)ethyl]carbamate?
methyl N-[2-(oxolan-2-yl)ethyl]carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(oxolan-2-yl)ethyl]carbamate is sourced from PubChem (CID 110731266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).