(3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one

C11H17N3O2 — CID 58730395

IUPAC(3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one
SMILESC[C@@H]1CC(C(CC2CCC2)N=[N+]=[N-])OC1=O
InChIInChI=1S/C11H17N3O2/c1-7-5-10(16-11(7)15)9(13-14-12)6-8-3-2-4-8/h7-10H,2-6H2,1H3/t7-,9?,10?/m1/s1
InChIKeyDZYXWFIYWFWNNW-CUUXFQNZSA-N
MW223.28 g/mol
LogP2.81
Rot. Bonds4

About (3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one

(3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one (PubChem CID 58730395) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one
PubChem CID58730395
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one
SMILESC[C@@H]1CC(C(CC2CCC2)N=[N+]=[N-])OC1=O
InChIInChI=1S/C11H17N3O2/c1-7-5-10(16-11(7)15)9(13-14-12)6-8-3-2-4-8/h7-10H,2-6H2,1H3/t7-,9?,10?/m1/s1
InChIKeyDZYXWFIYWFWNNW-CUUXFQNZSA-N
XLogP2.81
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(S)-2-[(S)-2-azido-2-((2S,4S)-4-isopropyl-5-oxo-tetrahydro-furan-2-yl)-ethyl]-3-methyl-butyraldehyde
CID 22865773
(3S,5S)-5-[(1S,3S)-1-azido-3-(fluoromethyl)-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 42613993
5(S)-azido-6-cyclohexyl-2(S)-isopropyl-4(S)-hexanolide
CID 14261123
(3S,5S)-5-[(1S)-1-azido-2-cycloheptylethyl]-3-propan-2-yloxolan-2-one
CID 18637734
(3S,5S)-5-[(1S)-1-azido-2-cyclopentylethyl]-3-propan-2-yloxolan-2-one
CID 18637737
(3S,5S)-5-[(1S)-1-azido-3-cyclohexylpropyl]-3-propan-2-yloxolan-2-one
CID 18637739
(3R,5R)-5-[(1R)-1-azido-3-methylbutyl]-3-propan-2-yloxolan-2-one
CID 18637745
5-(1-Azido-3-methylbutyl)-3-propan-2-yloxolan-2-one
CID 19868254
5-(1-Amino-3-methylbutyl)-3-propan-2-yloxolan-2-one
CID 20726917
4-Azido-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutanal
CID 21458753
(4S)-4-azido-4-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-2-propan-2-ylbutanal
CID 22870105
(3S,5S)-5-[(1S,3S)-1-azido-3-(chloromethyl)-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 42613990

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one?
The IUPAC name of (3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one (CID 58730395) is (3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one.
What is the SMILES notation for (3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one?
The canonical SMILES for (3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one is C[C@@H]1CC(C(CC2CCC2)N=[N+]=[N-])OC1=O.
What is the InChIKey of (3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one?
The InChIKey is DZYXWFIYWFWNNW-CUUXFQNZSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-5-10(16-11(7)15)9(13-14-12)6-8-3-2-4-8/h7-10H,2-6H2,1H3/t7-,9?,10?/m1/s1.
What are the key properties of (3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one?
(3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one has a molecular weight of 223.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 58730395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).