4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol

C9H19NO — CID 13029337

IUPAC4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol
SMILESCC(O)CC[C@H]1CC[C@H](C)N1
InChIInChI=1S/C9H19NO/c1-7-3-5-9(10-7)6-4-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8?,9+/m0/s1
InChIKeyPRNWLHSEKJLDAS-UBGVJBJISA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds3

About 4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol

4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol (PubChem CID 13029337) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol.

Molecular Properties

Compound Name4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol
PubChem CID13029337
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol
SMILESCC(O)CC[C@H]1CC[C@H](C)N1
InChIInChI=1S/C9H19NO/c1-7-3-5-9(10-7)6-4-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8?,9+/m0/s1
InChIKeyPRNWLHSEKJLDAS-UBGVJBJISA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol?
The IUPAC name of 4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol (CID 13029337) is 4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol.
What is the SMILES notation for 4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol?
The canonical SMILES for 4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol is CC(O)CC[C@H]1CC[C@H](C)N1.
What is the InChIKey of 4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol?
The InChIKey is PRNWLHSEKJLDAS-UBGVJBJISA-N. The full InChI is InChI=1S/C9H19NO/c1-7-3-5-9(10-7)6-4-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8?,9+/m0/s1.
What are the key properties of 4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol?
4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,5S)-5-methylpyrrolidin-2-yl]butan-2-ol is sourced from PubChem (CID 13029337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).