(2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one

C10H19NO2 — CID 10845219

IUPAC(2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one
SMILESCC[C@@H](O)[C@H](C)C(=O)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-3-9(12)8(2)10(13)11-6-4-5-7-11/h8-9,12H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyNIKLGASRZOGAOV-DTWKUNHWSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds3

About (2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one

(2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 10845219) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one
PubChem CID10845219
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one
SMILESCC[C@@H](O)[C@H](C)C(=O)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-3-9(12)8(2)10(13)11-6-4-5-7-11/h8-9,12H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyNIKLGASRZOGAOV-DTWKUNHWSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 45080858
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
2-bromo-1-pyrrolidin-1-ylbutan-1-one
CID 25219711
1-piperidin-1-yl-2-sulfanylbutan-1-one
CID 131177063
(2S)-2-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 71425574
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate
CID 134917578
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of (2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one (CID 10845219) is (2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for (2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one is CC[C@@H](O)[C@H](C)C(=O)N1CCCC1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is NIKLGASRZOGAOV-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9(12)8(2)10(13)11-6-4-5-7-11/h8-9,12H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one?
(2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 10845219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).