1-carbamohydrazonoylpyrrolidine-3-carboxylic acid

C6H12N4O2 — CID 85054032

IUPAC1-carbamohydrazonoylpyrrolidine-3-carboxylic acid
SMILESNN=C(N)N1CCC(C(=O)O)C1
InChIInChI=1S/C6H12N4O2/c7-6(9-8)10-2-1-4(3-10)5(11)12/h4H,1-3,8H2,(H2,7,9)(H,11,12)
InChIKeyIPJATBLNDJRHEY-UHFFFAOYSA-N
MW172.19 g/mol
LogP-1.42
Rot. Bonds1

About 1-carbamohydrazonoylpyrrolidine-3-carboxylic acid

1-carbamohydrazonoylpyrrolidine-3-carboxylic acid (PubChem CID 85054032) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-carbamohydrazonoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-carbamohydrazonoylpyrrolidine-3-carboxylic acid
PubChem CID85054032
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name1-carbamohydrazonoylpyrrolidine-3-carboxylic acid
SMILESNN=C(N)N1CCC(C(=O)O)C1
InChIInChI=1S/C6H12N4O2/c7-6(9-8)10-2-1-4(3-10)5(11)12/h4H,1-3,8H2,(H2,7,9)(H,11,12)
InChIKeyIPJATBLNDJRHEY-UHFFFAOYSA-N
XLogP-1.42
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123
1-[(E)-C-aminocarbonohydrazonoyl]piperidine-3-carboxamide
CID 126972262
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid
CID 103840976
1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid
CID 126782847
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
N'-amino-4-hydroxypiperidine-1-carboximidamide
CID 77054111
1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032084
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
piperidine-1,4-dicarboxylic acid
CID 18542445
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640

Frequently Asked Questions

What is the IUPAC name of 1-carbamohydrazonoylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-carbamohydrazonoylpyrrolidine-3-carboxylic acid (CID 85054032) is 1-carbamohydrazonoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-carbamohydrazonoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-carbamohydrazonoylpyrrolidine-3-carboxylic acid is NN=C(N)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-carbamohydrazonoylpyrrolidine-3-carboxylic acid?
The InChIKey is IPJATBLNDJRHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-6(9-8)10-2-1-4(3-10)5(11)12/h4H,1-3,8H2,(H2,7,9)(H,11,12).
What are the key properties of 1-carbamohydrazonoylpyrrolidine-3-carboxylic acid?
1-carbamohydrazonoylpyrrolidine-3-carboxylic acid has a molecular weight of 172.19 g/mol, XLogP of -1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamohydrazonoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 85054032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).