(2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol

C6H12N2O2 — CID 126543680

IUPAC(2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol
SMILESN/C=C1\NCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12N2O2/c7-3-4-6(10)5(9)1-2-8-4/h3,5-6,8-10H,1-2,7H2/b4-3-/t5-,6-/m1/s1
InChIKeyGQMQJTILPZMFKA-BIVJQQCZSA-N
MW144.17 g/mol
LogP-1.50
Rot. Bonds

About (2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol

(2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol (PubChem CID 126543680) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol.

Molecular Properties

Compound Name(2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol
PubChem CID126543680
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol
SMILESN/C=C1\NCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12N2O2/c7-3-4-6(10)5(9)1-2-8-4/h3,5-6,8-10H,1-2,7H2/b4-3-/t5-,6-/m1/s1
InChIKeyGQMQJTILPZMFKA-BIVJQQCZSA-N
XLogP-1.50
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol?
The IUPAC name of (2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol (CID 126543680) is (2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol.
What is the SMILES notation for (2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol?
The canonical SMILES for (2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol is N/C=C1\NCC[C@@H](O)[C@@H]1O.
What is the InChIKey of (2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol?
The InChIKey is GQMQJTILPZMFKA-BIVJQQCZSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-3-4-6(10)5(9)1-2-8-4/h3,5-6,8-10H,1-2,7H2/b4-3-/t5-,6-/m1/s1.
What are the key properties of (2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol?
(2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol has a molecular weight of 144.17 g/mol, XLogP of -1.50, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol is sourced from PubChem (CID 126543680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).