1-methanehydrazonoylpiperidine-3-carboxylic acid

C7H13N3O2 — CID 170993503

IUPAC1-methanehydrazonoylpiperidine-3-carboxylic acid
SMILESNN=CN1CCCC(C(=O)O)C1
InChIInChI=1S/C7H13N3O2/c8-9-5-10-3-1-2-6(4-10)7(11)12/h5-6H,1-4,8H2,(H,11,12)
InChIKeyMTOALOVPNBBTDT-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.31
Rot. Bonds2

About 1-methanehydrazonoylpiperidine-3-carboxylic acid

1-methanehydrazonoylpiperidine-3-carboxylic acid (PubChem CID 170993503) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-methanehydrazonoylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methanehydrazonoylpiperidine-3-carboxylic acid
PubChem CID170993503
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-methanehydrazonoylpiperidine-3-carboxylic acid
SMILESNN=CN1CCCC(C(=O)O)C1
InChIInChI=1S/C7H13N3O2/c8-9-5-10-3-1-2-6(4-10)7(11)12/h5-6H,1-4,8H2,(H,11,12)
InChIKeyMTOALOVPNBBTDT-UHFFFAOYSA-N
XLogP-0.31
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
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-methanehydrazonoylpiperidine-4-carboxylic acid
CID 53403068
(2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid
CID 57349210
CID 89024424
CID 89024424
(3R)-1-formylpyrrolidine-3-carboxylic acid
CID 90895028
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-[amino(formyl)amino]piperidine-3-carboxylic acid
CID 175254313
1-carbamohydrazonoylpyrrolidine-3-carboxylic acid
CID 85054032
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023

Frequently Asked Questions

What is the IUPAC name of 1-methanehydrazonoylpiperidine-3-carboxylic acid?
The IUPAC name of 1-methanehydrazonoylpiperidine-3-carboxylic acid (CID 170993503) is 1-methanehydrazonoylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-methanehydrazonoylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-methanehydrazonoylpiperidine-3-carboxylic acid is NN=CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-methanehydrazonoylpiperidine-3-carboxylic acid?
The InChIKey is MTOALOVPNBBTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-9-5-10-3-1-2-6(4-10)7(11)12/h5-6H,1-4,8H2,(H,11,12).
What are the key properties of 1-methanehydrazonoylpiperidine-3-carboxylic acid?
1-methanehydrazonoylpiperidine-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanehydrazonoylpiperidine-3-carboxylic acid is sourced from PubChem (CID 170993503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).