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

C10H22N2O — CID 22857722

IUPAC(3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol
SMILESCN[C@H](CN1CC[C@H](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+/m0/s1
InChIKeyOGYNUMDQAFUTND-VHSXEESVSA-N
MW186.30 g/mol
LogP0.30
Rot. Bonds4

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

(3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol (PubChem CID 22857722) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol
PubChem CID22857722
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol
SMILESCN[C@H](CN1CC[C@H](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+/m0/s1
InChIKeyOGYNUMDQAFUTND-VHSXEESVSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol (CID 22857722) is (3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol is CN[C@H](CN1CC[C@H](O)C1)C(C)C.
What is the InChIKey of (3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol?
The InChIKey is OGYNUMDQAFUTND-VHSXEESVSA-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+/m0/s1.
What are the key properties of (3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol?
(3S)-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 (3S)-1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-ol is sourced from PubChem (CID 22857722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).