1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol

C9H20N2O2 — CID 106673575

IUPAC1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol
SMILESCNCC(C)CN1CC(O)C(O)C1
InChIInChI=1S/C9H20N2O2/c1-7(3-10-2)4-11-5-8(12)9(13)6-11/h7-10,12-13H,3-6H2,1-2H3
InChIKeyHBAWXQAIIZEQAJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP-1.12
Rot. Bonds4

About 1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol

1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol (PubChem CID 106673575) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol
PubChem CID106673575
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol
SMILESCNCC(C)CN1CC(O)C(O)C1
InChIInChI=1S/C9H20N2O2/c1-7(3-10-2)4-11-5-8(12)9(13)6-11/h7-10,12-13H,3-6H2,1-2H3
InChIKeyHBAWXQAIIZEQAJ-UHFFFAOYSA-N
XLogP-1.12
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-methyl-3-(methylamino)propyl]piperidin-4-ol
CID 114681091
N,N-diethyl-1-[2-methyl-3-(methylamino)propyl]pyrrolidin-3-amine
CID 63166631
3-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropanenitrile
CID 106669465
N,2-dimethyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 106315016
(3S,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
CID 124681434
2-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-3-methylbutanenitrile
CID 131060245
(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol
CID 83160990
1-(3-chloro-2-methylpropyl)azetidin-3-ol
CID 131137639
3-(3,5-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62423056
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropanoate
CID 79410419
N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine
CID 79184555
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 55141526

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol (CID 106673575) is 1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol is CNCC(C)CN1CC(O)C(O)C1.
What is the InChIKey of 1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol?
The InChIKey is HBAWXQAIIZEQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(3-10-2)4-11-5-8(12)9(13)6-11/h7-10,12-13H,3-6H2,1-2H3.
What are the key properties of 1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol?
1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol has a molecular weight of 188.27 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106673575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).