methyl 4-azidopyrrolidine-2-carboxylate

C6H10N4O2 — CID 14036246

IUPACmethyl 4-azidopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(N=[N+]=[N-])CN1
InChIInChI=1S/C6H10N4O2/c1-12-6(11)5-2-4(3-8-5)9-10-7/h4-5,8H,2-3H2,1H3
InChIKeyQJWIOUAZOWOZDS-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.20
Rot. Bonds2

About methyl 4-azidopyrrolidine-2-carboxylate

methyl 4-azidopyrrolidine-2-carboxylate (PubChem CID 14036246) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 4-azidopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-azidopyrrolidine-2-carboxylate
PubChem CID14036246
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Namemethyl 4-azidopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(N=[N+]=[N-])CN1
InChIInChI=1S/C6H10N4O2/c1-12-6(11)5-2-4(3-8-5)9-10-7/h4-5,8H,2-3H2,1H3
InChIKeyQJWIOUAZOWOZDS-UHFFFAOYSA-N
XLogP0.20
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl (2S,4R)-4-sulfanylpyrrolidine-2-carboxylate
CID 137346896
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
methyl (2S)-4-iodopyrrolidine-2-carboxylate
CID 70651228
methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
CID 178103396
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate
CID 14036227
methyl (2S,4S)-4-(dimethylamino)pyrrolidine-2-carboxylate
CID 66880559
methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate
CID 123693548
methyl (2S,4S)-4-(propanoylamino)pyrrolidine-2-carboxylate
CID 118759565
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate;hydrochloride
CID 14036226

Frequently Asked Questions

What is the IUPAC name of methyl 4-azidopyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-azidopyrrolidine-2-carboxylate (CID 14036246) is methyl 4-azidopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-azidopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-azidopyrrolidine-2-carboxylate is COC(=O)C1CC(N=[N+]=[N-])CN1.
What is the InChIKey of methyl 4-azidopyrrolidine-2-carboxylate?
The InChIKey is QJWIOUAZOWOZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-12-6(11)5-2-4(3-8-5)9-10-7/h4-5,8H,2-3H2,1H3.
What are the key properties of methyl 4-azidopyrrolidine-2-carboxylate?
methyl 4-azidopyrrolidine-2-carboxylate has a molecular weight of 170.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-azidopyrrolidine-2-carboxylate is sourced from PubChem (CID 14036246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).