(3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol

C6H14N2O2 — CID 45078936

IUPAC(3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol
SMILESCOC[C@@H]1C[C@@H](O)CN1N
InChIInChI=1S/C6H14N2O2/c1-10-4-5-2-6(9)3-8(5)7/h5-6,9H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyLGVISQKZINLNLL-NTSWFWBYSA-N
MW146.19 g/mol
LogP-1.06
Rot. Bonds2

About (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol

(3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol (PubChem CID 45078936) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol
PubChem CID45078936
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol
SMILESCOC[C@@H]1C[C@@H](O)CN1N
InChIInChI=1S/C6H14N2O2/c1-10-4-5-2-6(9)3-8(5)7/h5-6,9H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyLGVISQKZINLNLL-NTSWFWBYSA-N
XLogP-1.06
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol 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 (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol (CID 45078936) is (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol is COC[C@@H]1C[C@@H](O)CN1N.
What is the InChIKey of (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol?
The InChIKey is LGVISQKZINLNLL-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-10-4-5-2-6(9)3-8(5)7/h5-6,9H,2-4,7H2,1H3/t5-,6+/m0/s1.
What are the key properties of (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol?
(3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol has a molecular weight of 146.19 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 45078936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).