methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate

C11H16N4O3 — CID 12052978

IUPACmethyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate
SMILESC=CC[C@@H](N=[N+]=[N-])C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C11H16N4O3/c1-3-5-8(13-14-12)10(16)15-7-4-6-9(15)11(17)18-2/h3,8-9H,1,4-7H2,2H3/t8-,9+/m1/s1
InChIKeyLSGOIDYRVLNAGJ-BDAKNGLRSA-N
MW252.27 g/mol
LogP1.41
Rot. Bonds5

About methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate (PubChem CID 12052978) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate
PubChem CID12052978
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate
SMILESC=CC[C@@H](N=[N+]=[N-])C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C11H16N4O3/c1-3-5-8(13-14-12)10(16)15-7-4-6-9(15)11(17)18-2/h3,8-9H,1,4-7H2,2H3/t8-,9+/m1/s1
InChIKeyLSGOIDYRVLNAGJ-BDAKNGLRSA-N
XLogP1.41
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 551045
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
methyl (2S)-1-[(2R)-2-methyl-4-oxopentanoyl]pyrrolidine-2-carboxylate
CID 11974374
methyl (2S)-1-(2-amino-3-cyclohexylpropanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 174947725
methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate
CID 102320964
methyl (2S)-1-[(2S)-2-cyclopentyl-2-(2,2-dimethylpent-4-enoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 70274069
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate (CID 12052978) is methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate is C=CC[C@@H](N=[N+]=[N-])C(=O)N1CCC[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate?
The InChIKey is LSGOIDYRVLNAGJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-5-8(13-14-12)10(16)15-7-4-6-9(15)11(17)18-2/h3,8-9H,1,4-7H2,2H3/t8-,9+/m1/s1.
What are the key properties of methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(2R)-2-azidopent-4-enoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 12052978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).