(2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol

C7H14N2O3 — CID 126537600

IUPAC(2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol
SMILESC[C@@H]1N/C(=C\N)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14N2O3/c1-3-5(10)7(12)6(11)4(2-8)9-3/h2-3,5-7,9-12H,8H2,1H3/b4-2-/t3-,5+,6+,7+/m0/s1
InChIKeyBADDRBNCEVMEOP-XYIQHDPPSA-N
MW174.20 g/mol
LogP-2.14
Rot. Bonds

About (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol

(2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol (PubChem CID 126537600) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol
PubChem CID126537600
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol
SMILESC[C@@H]1N/C(=C\N)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14N2O3/c1-3-5(10)7(12)6(11)4(2-8)9-3/h2-3,5-7,9-12H,8H2,1H3/b4-2-/t3-,5+,6+,7+/m0/s1
InChIKeyBADDRBNCEVMEOP-XYIQHDPPSA-N
XLogP-2.14
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol?
The IUPAC name of (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol (CID 126537600) is (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol.
What is the SMILES notation for (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol?
The canonical SMILES for (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol is C[C@@H]1N/C(=C\N)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol?
The InChIKey is BADDRBNCEVMEOP-XYIQHDPPSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-5(10)7(12)6(11)4(2-8)9-3/h2-3,5-7,9-12H,8H2,1H3/b4-2-/t3-,5+,6+,7+/m0/s1.
What are the key properties of (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol?
(2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol has a molecular weight of 174.20 g/mol, XLogP of -2.14, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol is sourced from PubChem (CID 126537600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).