1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid

C11H16N4O3 — CID 168657093

IUPAC1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
SMILES[N-]=[N+]=NCC1CC(=O)N(C2(C(=O)O)CCCC2)C1
InChIInChI=1S/C11H16N4O3/c12-14-13-6-8-5-9(16)15(7-8)11(10(17)18)3-1-2-4-11/h8H,1-7H2,(H,17,18)
InChIKeyCBIUZRMYGVKDHH-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.54
Rot. Bonds4

About 1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid

1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid (PubChem CID 168657093) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
PubChem CID168657093
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
SMILES[N-]=[N+]=NCC1CC(=O)N(C2(C(=O)O)CCCC2)C1
InChIInChI=1S/C11H16N4O3/c12-14-13-6-8-5-9(16)15(7-8)11(10(17)18)3-1-2-4-11/h8H,1-7H2,(H,17,18)
InChIKeyCBIUZRMYGVKDHH-UHFFFAOYSA-N
XLogP1.54
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
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

1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 168662973
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopropane-1-carboxylic acid
CID 168662970
1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691308
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid
CID 168655684
4-(azidomethyl)-1-cyclopropylpyrrolidin-2-one
CID 168657099
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168655566
1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid
CID 168709235
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-hydroxybenzoic acid
CID 168657961
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 168661891
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-1,2,4-triazole-5-carboxylic acid
CID 168658529

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid (CID 168657093) is 1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid is [N-]=[N+]=NCC1CC(=O)N(C2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid?
The InChIKey is CBIUZRMYGVKDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-14-13-6-8-5-9(16)15(7-8)11(10(17)18)3-1-2-4-11/h8H,1-7H2,(H,17,18).
What are the key properties of 1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid?
1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 168657093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).