(2S,3S)-2-tert-butylpyrrolidin-3-ol

C8H17NO — CID 96636706

IUPAC(2S,3S)-2-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)[C@@H]1NCC[C@@H]1O
InChIInChI=1S/C8H17NO/c1-8(2,3)7-6(10)4-5-9-7/h6-7,9-10H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyVORDWMWEWVKQJT-NKWVEPMBSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds

About (2S,3S)-2-tert-butylpyrrolidin-3-ol

(2S,3S)-2-tert-butylpyrrolidin-3-ol (PubChem CID 96636706) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S,3S)-2-tert-butylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-tert-butylpyrrolidin-3-ol
PubChem CID96636706
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S,3S)-2-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)[C@@H]1NCC[C@@H]1O
InChIInChI=1S/C8H17NO/c1-8(2,3)7-6(10)4-5-9-7/h6-7,9-10H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyVORDWMWEWVKQJT-NKWVEPMBSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutan-2-yl)pyrrolidin-3-ol
CID 141133221
2-tert-butyl-3-(trifluoromethyl)pyrrolidine
CID 176601473
(2R,3S)-2-methylpyrrolidin-3-ol
CID 55287364
2-tert-butyl-3-methylpiperazine
CID 116829179
(2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride
CID 67314682
(2S,3R,4R)-2,3-dimethylpiperidin-4-ol
CID 7238900
2-[(2R)-azetidin-2-yl]propan-2-ol
CID 135393026
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine
CID 122695029
1-[(2S)-3-hydroxypyrrolidin-2-yl]ethanone
CID 89382043
ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone
CID 166119609
(2S,3R)-N-[(5-bromo-1,2-thiazol-4-yl)methyl]-2-tert-butylpyrrolidin-3-amine
CID 167781620
(2R)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 54340286

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-tert-butylpyrrolidin-3-ol?
The IUPAC name of (2S,3S)-2-tert-butylpyrrolidin-3-ol (CID 96636706) is (2S,3S)-2-tert-butylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-2-tert-butylpyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-2-tert-butylpyrrolidin-3-ol is CC(C)(C)[C@@H]1NCC[C@@H]1O.
What is the InChIKey of (2S,3S)-2-tert-butylpyrrolidin-3-ol?
The InChIKey is VORDWMWEWVKQJT-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)7-6(10)4-5-9-7/h6-7,9-10H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2S,3S)-2-tert-butylpyrrolidin-3-ol?
(2S,3S)-2-tert-butylpyrrolidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-tert-butylpyrrolidin-3-ol is sourced from PubChem (CID 96636706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).