(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'}

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Related Compounds

(3R,5R)-1-amino-5-ethylpyrrolidin-3-ol
CID 166010699
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
1-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 126835544
1-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-4-(methylamino)pentan-1-one
CID 144812092
(3R,4R)-4-(methoxymethyl)-1-methylpyrrolidin-3-ol
CID 140507745
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 167729627
(4,5-dimethoxy-2-nitrophenyl)-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 170364413
(2S,4S)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 131036688
1-(2-methoxyethyl)-5-propylpyrrolidin-3-ol
CID 102568675
(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995610
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139

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).