(4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one

C11H19NO2 — CID 68723556

IUPAC(4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)N1C(=O)C[C@@H](O)[C@@H]1C1CC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-9(14)6-8(13)10(12)7-4-5-7/h7-8,10,13H,4-6H2,1-3H3/t8-,10+/m1/s1
InChIKeyHAEBRUVRFMAFJL-SCZZXKLOSA-N
MW197.28 g/mol
LogP1.16
Rot. Bonds1

About (4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one

(4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one (PubChem CID 68723556) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one
PubChem CID68723556
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)N1C(=O)C[C@@H](O)[C@@H]1C1CC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-9(14)6-8(13)10(12)7-4-5-7/h7-8,10,13H,4-6H2,1-3H3/t8-,10+/m1/s1
InChIKeyHAEBRUVRFMAFJL-SCZZXKLOSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S-cis)-4-hydroxy-5-(2-methylpropyl)-2-pyrrolidinone
CID 11768826
Tert-butyl 3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
CID 13852081
tert-butyl (2R,3S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
CID 10934133
(4S,5S)-4-hydroxy-5-isobutyl-1-t-butoxycarbonyl-2-pyrrolidinone
CID 10901277
(2S,3R)-tert-Butyl 2-cyclopropyl-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 57659767
2-Cyclopropyl-3-hydroxy-5-oxopyrrolidine-1-carboxylic acid
CID 67313909
Tert-butyl 2-cyclopropyl-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 67314043
(4S)-4-hydroxy-5-(2-methylpropyl)pyrrolidin-2-one
CID 67946015
tert-butyl (3R)-2-cyclopropyl-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 70276757
1-(2-Ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 70888597
1-(2-Ethyl-4-hydroxypyrrolidin-1-yl)heptan-1-one
CID 91051491
4-Hydroxy-3-methyl-4-(1-propanoylpyrrolidin-2-yl)butan-2-one
CID 124034115

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one?
The IUPAC name of (4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one (CID 68723556) is (4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one?
The canonical SMILES for (4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one is CC(C)(C)N1C(=O)C[C@@H](O)[C@@H]1C1CC1.
What is the InChIKey of (4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one?
The InChIKey is HAEBRUVRFMAFJL-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)12-9(14)6-8(13)10(12)7-4-5-7/h7-8,10,13H,4-6H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of (4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one?
(4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 68723556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).