(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol

C10H21NO — CID 146572367

IUPAC(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
SMILESCC(C)[C@H]1[C@H](O)CCN1C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)10-9(12)5-6-11(10)8(3)4/h7-10,12H,5-6H2,1-4H3/t9-,10+/m1/s1
InChIKeyHTKJXEODURZHIO-ZJUUUORDSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About (2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol

(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol (PubChem CID 146572367) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
PubChem CID146572367
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
SMILESCC(C)[C@H]1[C@H](O)CCN1C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)10-9(12)5-6-11(10)8(3)4/h7-10,12H,5-6H2,1-4H3/t9-,10+/m1/s1
InChIKeyHTKJXEODURZHIO-ZJUUUORDSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol
CID 131048189
1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 176761287
3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778810
3-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778374
1,2,5-tri(propan-2-yl)azepane
CID 176801550
4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol
CID 167425034
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
2,3,4-tri(propan-2-yl)morpholine
CID 166020055
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
(2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine
CID 171506116
2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol
CID 105477662
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol (CID 146572367) is (2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol is CC(C)[C@H]1[C@H](O)CCN1C(C)C.
What is the InChIKey of (2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol?
The InChIKey is HTKJXEODURZHIO-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)10-9(12)5-6-11(10)8(3)4/h7-10,12H,5-6H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol?
(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 146572367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).