(2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol

C8H17NO — CID 11029951

IUPAC(2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
SMILESC[C@H](O)C[C@@H]1CCCN1C
InChIInChI=1S/C8H17NO/c1-7(10)6-8-4-3-5-9(8)2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyCWMYODFAUAJKIV-YUMQZZPRSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds2

About (2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol

(2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol (PubChem CID 11029951) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
PubChem CID11029951
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
SMILESC[C@H](O)C[C@@H]1CCCN1C
InChIInChI=1S/C8H17NO/c1-7(10)6-8-4-3-5-9(8)2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyCWMYODFAUAJKIV-YUMQZZPRSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol (CID 11029951) is (2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol is C[C@H](O)C[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
The InChIKey is CWMYODFAUAJKIV-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(10)6-8-4-3-5-9(8)2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
(2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 11029951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).