3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid

C8H16N4O2 — CID 68941962

IUPAC3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid
SMILESNN=C(N)C(C(=O)O)C1CCNCC1
InChIInChI=1S/C8H16N4O2/c9-7(12-10)6(8(13)14)5-1-3-11-4-2-5/h5-6,11H,1-4,10H2,(H2,9,12)(H,13,14)
InChIKeyBKXDGEJVRRBXTJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.08
Rot. Bonds3

About 3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid

3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid (PubChem CID 68941962) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid
PubChem CID68941962
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid
SMILESNN=C(N)C(C(=O)O)C1CCNCC1
InChIInChI=1S/C8H16N4O2/c9-7(12-10)6(8(13)14)5-1-3-11-4-2-5/h5-6,11H,1-4,10H2,(H2,9,12)(H,13,14)
InChIKeyBKXDGEJVRRBXTJ-UHFFFAOYSA-N
XLogP-1.08
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
2-[(Z)-C-aminocarbonohydrazonoyl]-3-oxobutanoic acid
CID 55256036
(2-amino-2-oxo-1-piperidin-4-ylethyl)carbamic acid
CID 69164457
2-methoxy-2-piperidin-4-ylacetamide
CID 126521917
acetic acid;(1R)-1-piperidin-4-ylethanol
CID 66673151
2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid
CID 105461470
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
3-(methylamino)-2-piperidin-4-ylpropanoic acid
CID 117239541
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
piperidine-4-carboxamide;trihydrochloride
CID 141114926
3,3-dimethyl-2-piperidin-4-ylpentanoic acid
CID 123184489
2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
CID 105443031

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid?
The IUPAC name of 3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid (CID 68941962) is 3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid.
What is the SMILES notation for 3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid?
The canonical SMILES for 3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid is NN=C(N)C(C(=O)O)C1CCNCC1.
What is the InChIKey of 3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid?
The InChIKey is BKXDGEJVRRBXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c9-7(12-10)6(8(13)14)5-1-3-11-4-2-5/h5-6,11H,1-4,10H2,(H2,9,12)(H,13,14).
What are the key properties of 3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid?
3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid has a molecular weight of 200.24 g/mol, XLogP of -1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 68941962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).