3-(diaminomethylideneamino)piperidine-1-carboxylic acid

C7H14N4O2 — CID 77306150

IUPAC3-(diaminomethylideneamino)piperidine-1-carboxylic acid
SMILESNC(N)=NC1CCCN(C(=O)O)C1
InChIInChI=1S/C7H14N4O2/c8-6(9)10-5-2-1-3-11(4-5)7(12)13/h5H,1-4H2,(H,12,13)(H4,8,9,10)
InChIKeyHKLLRRCAZDDHEI-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.60
Rot. Bonds1

About 3-(diaminomethylideneamino)piperidine-1-carboxylic acid

3-(diaminomethylideneamino)piperidine-1-carboxylic acid (PubChem CID 77306150) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(diaminomethylideneamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(diaminomethylideneamino)piperidine-1-carboxylic acid
PubChem CID77306150
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name3-(diaminomethylideneamino)piperidine-1-carboxylic acid
SMILESNC(N)=NC1CCCN(C(=O)O)C1
InChIInChI=1S/C7H14N4O2/c8-6(9)10-5-2-1-3-11(4-5)7(12)13/h5H,1-4H2,(H,12,13)(H4,8,9,10)
InChIKeyHKLLRRCAZDDHEI-UHFFFAOYSA-N
XLogP-0.60
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylideneamino)piperidine-1-carboxylic acid?
The IUPAC name of 3-(diaminomethylideneamino)piperidine-1-carboxylic acid (CID 77306150) is 3-(diaminomethylideneamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(diaminomethylideneamino)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(diaminomethylideneamino)piperidine-1-carboxylic acid is NC(N)=NC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-(diaminomethylideneamino)piperidine-1-carboxylic acid?
The InChIKey is HKLLRRCAZDDHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c8-6(9)10-5-2-1-3-11(4-5)7(12)13/h5H,1-4H2,(H,12,13)(H4,8,9,10).
What are the key properties of 3-(diaminomethylideneamino)piperidine-1-carboxylic acid?
3-(diaminomethylideneamino)piperidine-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylideneamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 77306150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).