5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one

C10H17NO3 — CID 130669953

IUPAC5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one
SMILESCC1CC(NCC2CCCO2)C(=O)O1
InChIInChI=1S/C10H17NO3/c1-7-5-9(10(12)14-7)11-6-8-3-2-4-13-8/h7-9,11H,2-6H2,1H3
InChIKeyGGSBIJHCYBHAAW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds3

About 5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one

5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one (PubChem CID 130669953) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one
PubChem CID130669953
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one
SMILESCC1CC(NCC2CCCO2)C(=O)O1
InChIInChI=1S/C10H17NO3/c1-7-5-9(10(12)14-7)11-6-8-3-2-4-13-8/h7-9,11H,2-6H2,1H3
InChIKeyGGSBIJHCYBHAAW-UHFFFAOYSA-N
XLogP0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
CID 97358325
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700
1-ethyl-3-(oxan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 55014287
(3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione
CID 98630960
2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 63995122
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64908944
3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine
CID 55014186
(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820458

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one?
The IUPAC name of 5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one (CID 130669953) is 5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one.
What is the SMILES notation for 5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one?
The canonical SMILES for 5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one is CC1CC(NCC2CCCO2)C(=O)O1.
What is the InChIKey of 5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one?
The InChIKey is GGSBIJHCYBHAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-5-9(10(12)14-7)11-6-8-3-2-4-13-8/h7-9,11H,2-6H2,1H3.
What are the key properties of 5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one?
5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one is sourced from PubChem (CID 130669953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).