(2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol

C10H21NO — CID 130679423

IUPAC(2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol
SMILESCC[C@H](O)CN1CCC(C)C1C
InChIInChI=1S/C10H21NO/c1-4-10(12)7-11-6-5-8(2)9(11)3/h8-10,12H,4-7H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyZMSTXTLSCLTOLI-RTBKNWGFSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds3

About (2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol

(2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol (PubChem CID 130679423) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol
PubChem CID130679423
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol
SMILESCC[C@H](O)CN1CCC(C)C1C
InChIInChI=1S/C10H21NO/c1-4-10(12)7-11-6-5-8(2)9(11)3/h8-10,12H,4-7H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyZMSTXTLSCLTOLI-RTBKNWGFSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
CID 146922886
(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol
CID 130161396
ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate
CID 82770626
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983
1-butyl-2,3-dimethylpyrrolidine
CID 123853646
N-cyclopropyl-N-[[1-[(2R)-2-hydroxybutyl]pyrrolidin-2-yl]methyl]acetamide
CID 129000680
1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
CID 130557984
4-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-triazole
CID 131089134
(2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
CID 130557930
(2,3-dimethylpyrrolidin-1-yl)methyl-trimethylsilane;hydrochloride
CID 130628913
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
1-(azonan-1-yl)butan-2-ol
CID 130671766

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol?
The IUPAC name of (2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol (CID 130679423) is (2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol.
What is the SMILES notation for (2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol?
The canonical SMILES for (2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol is CC[C@H](O)CN1CCC(C)C1C.
What is the InChIKey of (2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol?
The InChIKey is ZMSTXTLSCLTOLI-RTBKNWGFSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(12)7-11-6-5-8(2)9(11)3/h8-10,12H,4-7H2,1-3H3/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol?
(2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol is sourced from PubChem (CID 130679423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).