1-[amino(formyl)amino]piperidine-3-carboxylic acid

C7H13N3O3 — CID 175254313

IUPAC1-[amino(formyl)amino]piperidine-3-carboxylic acid
SMILESNN(C=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C7H13N3O3/c8-10(5-11)9-3-1-2-6(4-9)7(12)13/h5-6H,1-4,8H2,(H,12,13)
InChIKeyBRGXYLRFJKDPIO-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.97
Rot. Bonds3

About 1-[amino(formyl)amino]piperidine-3-carboxylic acid

1-[amino(formyl)amino]piperidine-3-carboxylic acid (PubChem CID 175254313) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-[amino(formyl)amino]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[amino(formyl)amino]piperidine-3-carboxylic acid
PubChem CID175254313
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name1-[amino(formyl)amino]piperidine-3-carboxylic acid
SMILESNN(C=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C7H13N3O3/c8-10(5-11)9-3-1-2-6(4-9)7(12)13/h5-6H,1-4,8H2,(H,12,13)
InChIKeyBRGXYLRFJKDPIO-UHFFFAOYSA-N
XLogP-0.97
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 1-[amino(formyl)amino]piperidine-3-carboxylic acid?
The IUPAC name of 1-[amino(formyl)amino]piperidine-3-carboxylic acid (CID 175254313) is 1-[amino(formyl)amino]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[amino(formyl)amino]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[amino(formyl)amino]piperidine-3-carboxylic acid is NN(C=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[amino(formyl)amino]piperidine-3-carboxylic acid?
The InChIKey is BRGXYLRFJKDPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-10(5-11)9-3-1-2-6(4-9)7(12)13/h5-6H,1-4,8H2,(H,12,13).
What are the key properties of 1-[amino(formyl)amino]piperidine-3-carboxylic acid?
1-[amino(formyl)amino]piperidine-3-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(formyl)amino]piperidine-3-carboxylic acid is sourced from PubChem (CID 175254313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).