3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol

C7H14N2O2 — CID 131996162

IUPAC3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol
SMILESCN1C[C@H](N)C[C@@H]1C1OC1O
InChIInChI=1S/C7H14N2O2/c1-9-3-4(8)2-5(9)6-7(10)11-6/h4-7,10H,2-3,8H2,1H3/t4-,5-,6?,7?/m1/s1
InChIKeyPVQJHGBKEITATP-HCRKAXIXSA-N
MW158.20 g/mol
LogP-1.26
Rot. Bonds1

About 3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol

3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol (PubChem CID 131996162) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol.

Molecular Properties

Compound Name3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol
PubChem CID131996162
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol
SMILESCN1C[C@H](N)C[C@@H]1C1OC1O
InChIInChI=1S/C7H14N2O2/c1-9-3-4(8)2-5(9)6-7(10)11-6/h4-7,10H,2-3,8H2,1H3/t4-,5-,6?,7?/m1/s1
InChIKeyPVQJHGBKEITATP-HCRKAXIXSA-N
XLogP-1.26
TPSA62.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
CID 70192630
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211
5-amino-1-methylpiperidin-2-ol;hydrochloride
CID 174643109
1-methyl-5-propan-2-ylpyrrolidin-3-amine
CID 83855177
1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
CID 75111395
(3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
CID 163148156
(1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 15669541
ethyl 4-amino-1-methylpyrrolidine-2-carboxylate
CID 20763173
3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol
CID 154732192
(1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine
CID 129230741
2-methyl-2-azabicyclo[2.2.2]octan-6-amine
CID 55285034
(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol
CID 139364909

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol?
The IUPAC name of 3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol (CID 131996162) is 3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol.
What is the SMILES notation for 3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol?
The canonical SMILES for 3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol is CN1C[C@H](N)C[C@@H]1C1OC1O.
What is the InChIKey of 3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol?
The InChIKey is PVQJHGBKEITATP-HCRKAXIXSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9-3-4(8)2-5(9)6-7(10)11-6/h4-7,10H,2-3,8H2,1H3/t4-,5-,6?,7?/m1/s1.
What are the key properties of 3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol?
3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol has a molecular weight of 158.20 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol is sourced from PubChem (CID 131996162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).