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

C7H13N3O3 — CID 22126727

IUPAC4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid
SMILES[H]/N=C(\N)C1CCN(C(=O)O)CC1O
InChIInChI=1S/C7H13N3O3/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)
InChIKeyVPPYCRAAWRMUFN-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.72
Rot. Bonds1

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

4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid (PubChem CID 22126727) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid
PubChem CID22126727
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid
SMILES[H]/N=C(\N)C1CCN(C(=O)O)CC1O
InChIInChI=1S/C7H13N3O3/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)
InChIKeyVPPYCRAAWRMUFN-UHFFFAOYSA-N
XLogP-0.72
TPSA110.64 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.72
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'}

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Related Compounds

4-(Aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
CID 22135572
(3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
CID 53699702
(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide
CID 54195403
Tert-butyl 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylate
CID 54407095
(3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
CID 68486727
(3R,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
CID 68487256
(3S,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
CID 68487258
(3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
CID 68578379
(3R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
CID 69465326
Acetic acid;4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid
CID 69646574
3-Acetyloxy-4-carbamimidoylpiperidine-1-carboxylic acid
CID 69646576
tert-butyl (3RS,4RS)-4-carbamimidoyl-3-hydroxy-piperidine-1-carboxylate iodide
CID 86604508

Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid (CID 22126727) is 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid is [H]/N=C(\N)C1CCN(C(=O)O)CC1O.
What is the InChIKey of 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid?
The InChIKey is VPPYCRAAWRMUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/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).
What are the key properties of 4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid?
4-carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of -0.72, 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 is sourced from PubChem (CID 22126727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).