methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate

C8H15NO4 — CID 57358884

IUPACmethyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCC1(C)OCCO1
InChIInChI=1S/C8H15NO4/c1-8(12-5-6-13-8)3-4-9-7(10)11-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyIMKYHVVZZCURNJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.50
Rot. Bonds3

About methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate

methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate (PubChem CID 57358884) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate
PubChem CID57358884
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCC1(C)OCCO1
InChIInChI=1S/C8H15NO4/c1-8(12-5-6-13-8)3-4-9-7(10)11-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyIMKYHVVZZCURNJ-UHFFFAOYSA-N
XLogP0.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
CID 110359336
3,5-dimethoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359281
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]oxolane-2-carboxamide
CID 110423404
2-[[(2-methoxyethylamino)-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036815
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]furan-2-carboxamide
CID 110359265
methyl N-[(2-methyloxiran-2-yl)methyl]carbamate
CID 73120735
1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
CID 110359308
2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
CID 110357017
N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide
CID 110036817
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
CID 110369745

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate (CID 57358884) is methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate is COC(=O)NCCC1(C)OCCO1.
What is the InChIKey of methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate?
The InChIKey is IMKYHVVZZCURNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(12-5-6-13-8)3-4-9-7(10)11-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate?
methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate has a molecular weight of 189.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate is sourced from PubChem (CID 57358884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).