(3R)-5-(1-azidoethyl)-3-methyloxolan-2-one

C7H11N3O2 — CID 59881759

IUPAC(3R)-5-(1-azidoethyl)-3-methyloxolan-2-one
SMILESCC(N=[N+]=[N-])C1C[C@@H](C)C(=O)O1
InChIInChI=1S/C7H11N3O2/c1-4-3-6(12-7(4)11)5(2)9-10-8/h4-6H,3H2,1-2H3/t4-,5?,6?/m1/s1
InChIKeyRIPYSAUZXYVXOE-IISSFJTQSA-N
MW169.18 g/mol
LogP1.64
Rot. Bonds2

About (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one

(3R)-5-(1-azidoethyl)-3-methyloxolan-2-one (PubChem CID 59881759) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R)-5-(1-azidoethyl)-3-methyloxolan-2-one
PubChem CID59881759
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(3R)-5-(1-azidoethyl)-3-methyloxolan-2-one
SMILESCC(N=[N+]=[N-])C1C[C@@H](C)C(=O)O1
InChIInChI=1S/C7H11N3O2/c1-4-3-6(12-7(4)11)5(2)9-10-8/h4-6H,3H2,1-2H3/t4-,5?,6?/m1/s1
InChIKeyRIPYSAUZXYVXOE-IISSFJTQSA-N
XLogP1.64
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.64
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'}

Analyze (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-5-[(S)-Azidoethyl]-butyrolactone
CID 10654455
(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-Aminoethyl)-3-methyloxolan-2-one
CID 20726918
(3R)-5-(1-azido-2-cyclobutylethyl)-3-methyloxolan-2-one
CID 58730395
5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one
CID 59961752
(3S)-5-[(1R)-1-azido-3-methylbutyl]-3-propan-2-yloxolan-2-one
CID 60086351
5-[(1R)-1-azido-3-methylbutyl]-3-propan-2-yloxolan-2-one
CID 71022100
5-(1-Azido-3-methylbutyl)oxolan-2-one
CID 75971717
(3S,5S)-5-[(1S)-1-azido-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 89773972
(3S,5S)-5-[(1S,3S)-1-azido-3-ethyl-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 89773977
(3R,4S,5R)-3-azido-5-ethyl-4-methyloxolan-2-one
CID 118683753

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one?
The IUPAC name of (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one (CID 59881759) is (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one.
What is the SMILES notation for (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one?
The canonical SMILES for (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one is CC(N=[N+]=[N-])C1C[C@@H](C)C(=O)O1.
What is the InChIKey of (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one?
The InChIKey is RIPYSAUZXYVXOE-IISSFJTQSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-3-6(12-7(4)11)5(2)9-10-8/h4-6H,3H2,1-2H3/t4-,5?,6?/m1/s1.
What are the key properties of (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one?
(3R)-5-(1-azidoethyl)-3-methyloxolan-2-one has a molecular weight of 169.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(1-azidoethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 59881759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).