(3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid

C7H13N3O3 — CID 68651500

IUPAC(3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid
SMILESNNC(=O)[C@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C7H13N3O3/c8-9-6(11)5-2-1-3-10(4-5)7(12)13/h5H,1-4,8H2,(H,9,11)(H,12,13)/t5-/m0/s1
InChIKeyRQYBTDIQCIDPBB-YFKPBYRVSA-N
MW187.20 g/mol
LogP-0.63
Rot. Bonds1

About (3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid

(3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid (PubChem CID 68651500) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is (3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid
PubChem CID68651500
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name(3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid
SMILESNNC(=O)[C@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C7H13N3O3/c8-9-6(11)5-2-1-3-10(4-5)7(12)13/h5H,1-4,8H2,(H,9,11)(H,12,13)/t5-/m0/s1
InChIKeyRQYBTDIQCIDPBB-YFKPBYRVSA-N
XLogP-0.63
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid?
The IUPAC name of (3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid (CID 68651500) is (3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid is NNC(=O)[C@H]1CCCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid?
The InChIKey is RQYBTDIQCIDPBB-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-9-6(11)5-2-1-3-10(4-5)7(12)13/h5H,1-4,8H2,(H,9,11)(H,12,13)/t5-/m0/s1.
What are the key properties of (3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid?
(3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68651500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).