(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol

C9H19NO — CID 154309422

IUPAC(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
SMILESC[C@H]1[C@@H](O)CCN1C(C)(C)C
InChIInChI=1S/C9H19NO/c1-7-8(11)5-6-10(7)9(2,3)4/h7-8,11H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyFGQHUQYBQQRWIR-YUMQZZPRSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds

About (2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol

(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol (PubChem CID 154309422) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
PubChem CID154309422
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
SMILESC[C@H]1[C@@H](O)CCN1C(C)(C)C
InChIInChI=1S/C9H19NO/c1-7-8(11)5-6-10(7)9(2,3)4/h7-8,11H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyFGQHUQYBQQRWIR-YUMQZZPRSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
CID 117021966
1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 164706292
(2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine
CID 170939669
(3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol
CID 171159721
1-tert-butyl-2-methylaziridine
CID 15557486
(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
CID 168821031
(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol
CID 131048189
(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol
CID 142979372
(3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid
CID 66578004
(2R,4S)-1-tert-butyl-2-methylpiperidine-4-carbonitrile
CID 171748472
1-tert-butyl-2,4,6-trimethylazocane
CID 166882089
(2S,3R)-2-methyl-1-propylpyrrolidin-3-ol
CID 130813850

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol?
The IUPAC name of (2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol (CID 154309422) is (2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol is C[C@H]1[C@@H](O)CCN1C(C)(C)C.
What is the InChIKey of (2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol?
The InChIKey is FGQHUQYBQQRWIR-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-8(11)5-6-10(7)9(2,3)4/h7-8,11H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol?
(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol is sourced from PubChem (CID 154309422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).