[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine

C5H12N2O2 — CID 10374501

IUPAC[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine
SMILESNC[C@@H]1OCO[C@H]1CN
InChIInChI=1S/C5H12N2O2/c6-1-4-5(2-7)9-3-8-4/h4-5H,1-3,6-7H2/t4-,5-/m0/s1
InChIKeyIVKNYMXGZKPFOJ-WHFBIAKZSA-N
MW132.16 g/mol
LogP-1.35
Rot. Bonds2

About [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine

[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 10374501) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine
PubChem CID10374501
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine
SMILESNC[C@@H]1OCO[C@H]1CN
InChIInChI=1S/C5H12N2O2/c6-1-4-5(2-7)9-3-8-4/h4-5H,1-3,6-7H2/t4-,5-/m0/s1
InChIKeyIVKNYMXGZKPFOJ-WHFBIAKZSA-N
XLogP-1.35
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine (CID 10374501) is [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine is NC[C@@H]1OCO[C@H]1CN.
What is the InChIKey of [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is IVKNYMXGZKPFOJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-1-4-5(2-7)9-3-8-4/h4-5H,1-3,6-7H2/t4-,5-/m0/s1.
What are the key properties of [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine?
[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 132.16 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 10374501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).