2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid

C7H9N3O3 — CID 136932287

IUPAC2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid
SMILES[N-]=[N+]=CC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C7H9N3O3/c8-9-4-6(11)5-2-1-3-10(5)7(12)13/h4-5H,1-3H2,(H,12,13)
InChIKeyQDHRIKKMWDQQSI-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.00
Rot. Bonds2

About 2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid

2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid (PubChem CID 136932287) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid
PubChem CID136932287
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid
SMILES[N-]=[N+]=CC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C7H9N3O3/c8-9-4-6(11)5-2-1-3-10(5)7(12)13/h4-5H,1-3H2,(H,12,13)
InChIKeyQDHRIKKMWDQQSI-UHFFFAOYSA-N
XLogP-0.00
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enoylpyrrolidine-1-carboxylic acid
CID 69463823
methyl N-[1-[2-(2-diazoacetyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 91232307
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
CID 69059915
(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid
CID 126526083
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
2-(3-oxobutanoyl)pyrrolidine-1-carboxylic acid
CID 68812261
(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 45259039
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
2-(hydroxycarbamoyl)piperidine-1-carboxylic acid
CID 54289954
(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 21355915

Frequently Asked Questions

What is the IUPAC name of 2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid (CID 136932287) is 2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid is [N-]=[N+]=CC(=O)C1CCCN1C(=O)O.
What is the InChIKey of 2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid?
The InChIKey is QDHRIKKMWDQQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-9-4-6(11)5-2-1-3-10(5)7(12)13/h4-5H,1-3H2,(H,12,13).
What are the key properties of 2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid?
2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 136932287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).