3-(cyclobutylmethylamino)-5-methyloxolan-2-one

C10H17NO2 — CID 130693257

IUPAC3-(cyclobutylmethylamino)-5-methyloxolan-2-one
SMILESCC1CC(NCC2CCC2)C(=O)O1
InChIInChI=1S/C10H17NO2/c1-7-5-9(10(12)13-7)11-6-8-3-2-4-8/h7-9,11H,2-6H2,1H3
InChIKeyOYRHUWFCPKASHQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds3

About 3-(cyclobutylmethylamino)-5-methyloxolan-2-one

3-(cyclobutylmethylamino)-5-methyloxolan-2-one (PubChem CID 130693257) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(cyclobutylmethylamino)-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-(cyclobutylmethylamino)-5-methyloxolan-2-one
PubChem CID130693257
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(cyclobutylmethylamino)-5-methyloxolan-2-one
SMILESCC1CC(NCC2CCC2)C(=O)O1
InChIInChI=1S/C10H17NO2/c1-7-5-9(10(12)13-7)11-6-8-3-2-4-8/h7-9,11H,2-6H2,1H3
InChIKeyOYRHUWFCPKASHQ-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide
CID 100954884
H-Hyp(tBu)-OtBu.HCl
CID 56777182
3-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide
CID 171355946
N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide
CID 130923601
Desmodilactone
CID 191545
methyl (2S,4R)-4-ethoxypyrrolidine-2-carboxylate hydrochloride
CID 137943634
propan-2-yl (2S)-2-(cyclobutanecarbonylamino)propanoate
CID 95167914
(2S,4R)-tert-Butyl 4-(tert-butoxy)pyrrolidine-2-carboxylate
CID 56777183
propan-2-yl (2S)-4-methyl-2-(propan-2-ylamino)pentanoate
CID 87158054
N-(4,5-dimethyl-2-oxooxolan-3-yl)acetamide
CID 5316598
trans-3-Ethylproline ethyl ester
CID 96009810
3-(1-Fluoropropan-2-ylamino)-5-methyloxolan-2-one
CID 130649707

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylamino)-5-methyloxolan-2-one?
The IUPAC name of 3-(cyclobutylmethylamino)-5-methyloxolan-2-one (CID 130693257) is 3-(cyclobutylmethylamino)-5-methyloxolan-2-one.
What is the SMILES notation for 3-(cyclobutylmethylamino)-5-methyloxolan-2-one?
The canonical SMILES for 3-(cyclobutylmethylamino)-5-methyloxolan-2-one is CC1CC(NCC2CCC2)C(=O)O1.
What is the InChIKey of 3-(cyclobutylmethylamino)-5-methyloxolan-2-one?
The InChIKey is OYRHUWFCPKASHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-5-9(10(12)13-7)11-6-8-3-2-4-8/h7-9,11H,2-6H2,1H3.
What are the key properties of 3-(cyclobutylmethylamino)-5-methyloxolan-2-one?
3-(cyclobutylmethylamino)-5-methyloxolan-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylamino)-5-methyloxolan-2-one is sourced from PubChem (CID 130693257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).