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

C10H22N2O — CID 57076862

IUPAC(3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol
SMILESCNCC(C(C)C)N1CC[C@H](O)C1
InChIInChI=1S/C10H22N2O/c1-8(2)10(6-11-3)12-5-4-9(13)7-12/h8-11,13H,4-7H2,1-3H3/t9-,10?/m0/s1
InChIKeyAKUOCHQJAGECGT-RGURZIINSA-N
MW186.30 g/mol
LogP0.30
Rot. Bonds4

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

(3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol (PubChem CID 57076862) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol
PubChem CID57076862
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol
SMILESCNCC(C(C)C)N1CC[C@H](O)C1
InChIInChI=1S/C10H22N2O/c1-8(2)10(6-11-3)12-5-4-9(13)7-12/h8-11,13H,4-7H2,1-3H3/t9-,10?/m0/s1
InChIKeyAKUOCHQJAGECGT-RGURZIINSA-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-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol (CID 57076862) is (3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol is CNCC(C(C)C)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol?
The InChIKey is AKUOCHQJAGECGT-RGURZIINSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)10(6-11-3)12-5-4-9(13)7-12/h8-11,13H,4-7H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol?
(3S)-1-[3-methyl-1-(methylamino)butan-2-yl]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-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 57076862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).