1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol

C10H22N2O — CID 53487330

IUPAC1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol
SMILESCN[C@H](CN1CCC(O)C1)C(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)10(11-3)7-12-5-4-9(13)6-12/h8-11,13H,4-7H2,1-3H3/t9?,10-/m1/s1
InChIKeyOGYNUMDQAFUTND-QVDQXJPCSA-N
MW186.30 g/mol
LogP0.30
Rot. Bonds4

About 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol

1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol (PubChem CID 53487330) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol
PubChem CID53487330
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol
SMILESCN[C@H](CN1CCC(O)C1)C(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)10(11-3)7-12-5-4-9(13)6-12/h8-11,13H,4-7H2,1-3H3/t9?,10-/m1/s1
InChIKeyOGYNUMDQAFUTND-QVDQXJPCSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-3-methyl-2-(methylamino)butyl]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

Related Compounds

(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
(3S)-1-[(2S)-2-(4-aminophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol
CID 22862233
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-3,3-dimethylbutanenitrile
CID 130986060
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
(3S)-1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol
CID 67673345
1-[4,4-dimethyl-3-(methylamino)pentyl]piperidin-4-ol
CID 62625302

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol (CID 53487330) is 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol is CN[C@H](CN1CCC(O)C1)C(C)C.
What is the InChIKey of 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol?
The InChIKey is OGYNUMDQAFUTND-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)10(11-3)7-12-5-4-9(13)6-12/h8-11,13H,4-7H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol?
1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol has a molecular weight of 186.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol is sourced from PubChem (CID 53487330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).