2-(azidomethyl)cyclopropane-1-carboxylate

C5H6N3O2- — CID 20505597

IUPAC2-(azidomethyl)cyclopropane-1-carboxylate
SMILES[N-]=[N+]=NCC1CC1C(=O)[O-]
InChIInChI=1S/C5H7N3O2/c6-8-7-2-3-1-4(3)5(9)10/h3-4H,1-2H2,(H,9,10)/p-1
InChIKeyATLVSQGMSHJMOZ-UHFFFAOYSA-M
MW140.12 g/mol
LogP-0.32
Rot. Bonds3

About 2-(azidomethyl)cyclopropane-1-carboxylate

2-(azidomethyl)cyclopropane-1-carboxylate (PubChem CID 20505597) has the molecular formula C5H6N3O2- and a molecular weight of 140.12 g/mol. Its IUPAC name is 2-(azidomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-(azidomethyl)cyclopropane-1-carboxylate
PubChem CID20505597
Molecular FormulaC5H6N3O2-
Molecular Weight140.12 g/mol
Exact Mass140.05
IUPAC Name2-(azidomethyl)cyclopropane-1-carboxylate
SMILES[N-]=[N+]=NCC1CC1C(=O)[O-]
InChIInChI=1S/C5H7N3O2/c6-8-7-2-3-1-4(3)5(9)10/h3-4H,1-2H2,(H,9,10)/p-1
InChIKeyATLVSQGMSHJMOZ-UHFFFAOYSA-M
XLogP-0.32
TPSA88.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 5-0.32
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 2-(azidomethyl)cyclopropane-1-carboxylate 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

lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate
CID 154814336
5-(azidomethyl)thiolan-2-ol acetate
CID 18924024
3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid
CID 158692613
5-(azidomethyl)bicyclo[2.2.1]hept-2-ene
CID 150182315
tert-butyl N-[(4R,5R)-4,5-bis(azidomethyl)-2-hydroxycyclohexyl]carbamate
CID 25215650
sodium 2-(3-cyclohexylpropyl)cyclopropane-1-carboxylate
CID 156501172
[(1R,2R,4S,6S)-2-acetyloxy-3-azido-6-(azidomethyl)-4-methoxycyclohexyl] acetate
CID 167267075
cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide
CID 13108219
2-(azidomethyl)-1,3-dioxolane
CID 19934523
(2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 89466591
2,5-dimethylcyclohexane-1,4-dicarboxylate
CID 21247464
methyl 2-[[(2S)-2-[[(2R,3S,5R)-3,5-bis(azidomethyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetate
CID 73355508

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)cyclopropane-1-carboxylate?
The IUPAC name of 2-(azidomethyl)cyclopropane-1-carboxylate (CID 20505597) is 2-(azidomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 2-(azidomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for 2-(azidomethyl)cyclopropane-1-carboxylate is [N-]=[N+]=NCC1CC1C(=O)[O-].
What is the InChIKey of 2-(azidomethyl)cyclopropane-1-carboxylate?
The InChIKey is ATLVSQGMSHJMOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7N3O2/c6-8-7-2-3-1-4(3)5(9)10/h3-4H,1-2H2,(H,9,10)/p-1.
What are the key properties of 2-(azidomethyl)cyclopropane-1-carboxylate?
2-(azidomethyl)cyclopropane-1-carboxylate has a molecular weight of 140.12 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 20505597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).