4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide

C7H14IN3O3 — CID 87931359

IUPAC4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide
SMILESI.[H]/N=C(\N)C1CCN(C(=O)O)CC1O
InChIInChI=1S/C7H13N3O3.HI/c8-6(9)4-1-2-10(7(12)13)3-5(4)11;/h4-5,11H,1-3H2,(H3,8,9)(H,12,13);1H
InChIKeyKQCDSILYPXZQFH-UHFFFAOYSA-N
MW315.11 g/mol
LogP-0.10
Rot. Bonds1

About 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide

4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide (PubChem CID 87931359) has the molecular formula C7H14IN3O3 and a molecular weight of 315.11 g/mol. Its IUPAC name is 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide.

Molecular Properties

Compound Name4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide
PubChem CID87931359
Molecular FormulaC7H14IN3O3
Molecular Weight315.11 g/mol
Exact Mass315.01
IUPAC Name4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide
SMILESI.[H]/N=C(\N)C1CCN(C(=O)O)CC1O
InChIInChI=1S/C7H13N3O3.HI/c8-6(9)4-1-2-10(7(12)13)3-5(4)11;/h4-5,11H,1-3H2,(H3,8,9)(H,12,13);1H
InChIKeyKQCDSILYPXZQFH-UHFFFAOYSA-N
XLogP-0.10
TPSA110.64 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide?
The IUPAC name of 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide (CID 87931359) is 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide.
What is the SMILES notation for 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide?
The canonical SMILES for 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide is I.[H]/N=C(\N)C1CCN(C(=O)O)CC1O.
What is the InChIKey of 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide?
The InChIKey is KQCDSILYPXZQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3.HI/c8-6(9)4-1-2-10(7(12)13)3-5(4)11;/h4-5,11H,1-3H2,(H3,8,9)(H,12,13);1H.
What are the key properties of 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide?
4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide has a molecular weight of 315.11 g/mol, XLogP of -0.10, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide is sourced from PubChem (CID 87931359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).