[(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone

C14H25NO2 — CID 144942287

IUPAC[(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone
SMILESCC[C@@H](C)[C@]1(C)CCN(C(=O)C2(O)CCC2)C1
InChIInChI=1S/C14H25NO2/c1-4-11(2)13(3)8-9-15(10-13)12(16)14(17)6-5-7-14/h11,17H,4-10H2,1-3H3/t11-,13-/m1/s1
InChIKeyBPQYPHCEYXWNHT-DGCLKSJQSA-N
MW239.36 g/mol
LogP2.19
Rot. Bonds3

About [(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone

[(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone (PubChem CID 144942287) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone
PubChem CID144942287
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone
SMILESCC[C@@H](C)[C@]1(C)CCN(C(=O)C2(O)CCC2)C1
InChIInChI=1S/C14H25NO2/c1-4-11(2)13(3)8-9-15(10-13)12(16)14(17)6-5-7-14/h11,17H,4-10H2,1-3H3/t11-,13-/m1/s1
InChIKeyBPQYPHCEYXWNHT-DGCLKSJQSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone?
The IUPAC name of [(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone (CID 144942287) is [(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone.
What is the SMILES notation for [(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone?
The canonical SMILES for [(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone is CC[C@@H](C)[C@]1(C)CCN(C(=O)C2(O)CCC2)C1.
What is the InChIKey of [(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone?
The InChIKey is BPQYPHCEYXWNHT-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-11(2)13(3)8-9-15(10-13)12(16)14(17)6-5-7-14/h11,17H,4-10H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of [(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone?
[(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2R)-butan-2-yl]-3-methylpyrrolidin-1-yl]-(1-hydroxycyclobutyl)methanone is sourced from PubChem (CID 144942287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).