4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid

C7H13N3O3 — CID 87201411

IUPAC4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
SMILESN/C(=N\O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C7H13N3O3/c8-6(9-13)5-1-3-10(4-2-5)7(11)12/h5,13H,1-4H2,(H2,8,9)(H,11,12)
InChIKeyNVKVEFJWIRIRPT-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.12
Rot. Bonds1

About 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid

4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid (PubChem CID 87201411) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
PubChem CID87201411
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
SMILESN/C(=N\O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C7H13N3O3/c8-6(9-13)5-1-3-10(4-2-5)7(11)12/h5,13H,1-4H2,(H2,8,9)(H,11,12)
InChIKeyNVKVEFJWIRIRPT-UHFFFAOYSA-N
XLogP0.12
TPSA99.15 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 ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid (CID 87201411) is 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid is N/C(=N\O)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid?
The InChIKey is NVKVEFJWIRIRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-6(9-13)5-1-3-10(4-2-5)7(11)12/h5,13H,1-4H2,(H2,8,9)(H,11,12).
What are the key properties of 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid?
4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 87201411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).