5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide

C11H19NO3 — CID 81330856

IUPAC5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide
SMILESCCC(=O)C(C)NC(=O)C1CCC(C)O1
InChIInChI=1S/C11H19NO3/c1-4-9(13)8(3)12-11(14)10-6-5-7(2)15-10/h7-8,10H,4-6H2,1-3H3,(H,12,14)
InChIKeyKRPTUIZVAQVOFE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.04
Rot. Bonds4

About 5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide

5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide (PubChem CID 81330856) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide
PubChem CID81330856
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide
SMILESCCC(=O)C(C)NC(=O)C1CCC(C)O1
InChIInChI=1S/C11H19NO3/c1-4-9(13)8(3)12-11(14)10-6-5-7(2)15-10/h7-8,10H,4-6H2,1-3H3,(H,12,14)
InChIKeyKRPTUIZVAQVOFE-UHFFFAOYSA-N
XLogP1.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate
CID 81003461
N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide
CID 130736791
5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
CID 81330974
N-(5-aminopentan-2-yl)-5-methyloxolane-2-carboxamide
CID 81326874
N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide
CID 80995980
N-(1-amino-1-sulfanylidenepentan-3-yl)-5-methyloxolane-2-carboxamide
CID 81330044
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide
CID 81326944
N-(3-amino-2-methylpropyl)-5-methyloxolane-2-carboxamide
CID 81324675
5-methyl-N-(1-piperidin-2-ylethyl)oxolane-2-carboxamide
CID 81331038
(3S)-5-methyl-3-[[(5-methyloxolane-2-carbonyl)amino]methyl]hexanoic acid
CID 81324785
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688026
N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide
CID 81002733

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide (CID 81330856) is 5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide is CCC(=O)C(C)NC(=O)C1CCC(C)O1.
What is the InChIKey of 5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide?
The InChIKey is KRPTUIZVAQVOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-9(13)8(3)12-11(14)10-6-5-7(2)15-10/h7-8,10H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide?
5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 81330856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).