(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol

C8H17NO — CID 131048189

IUPAC(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CC[C@@H](O)[C@@H]1C
InChIInChI=1S/C8H17NO/c1-6(2)9-5-4-8(10)7(9)3/h6-8,10H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyDMGQOEFQJPJZCS-JGVFFNPUSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds1

About (2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol

(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 131048189) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol
PubChem CID131048189
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CC[C@@H](O)[C@@H]1C
InChIInChI=1S/C8H17NO/c1-6(2)9-5-4-8(10)7(9)3/h6-8,10H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyDMGQOEFQJPJZCS-JGVFFNPUSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 146572367
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol
CID 142979372
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 176761287
(2R,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
CID 176766721
(2S,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
CID 177325259
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
4-methyl-1,2-di(propan-2-yl)piperidine
CID 141078246
(2R,3R)-1,2,3-trimethyl-4-propan-2-ylpiperazine
CID 139548079
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363
(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
CID 154309422

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol (CID 131048189) is (2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol is CC(C)N1CC[C@@H](O)[C@@H]1C.
What is the InChIKey of (2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is DMGQOEFQJPJZCS-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)9-5-4-8(10)7(9)3/h6-8,10H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol?
(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 131048189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).