(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate

C15H18NO3- — CID 2442336

IUPAC(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
SMILESCC[C@@H](C)c1ccccc1N1C[C@H](C(=O)[O-])CC1=O
InChIInChI=1S/C15H19NO3/c1-3-10(2)12-6-4-5-7-13(12)16-9-11(15(18)19)8-14(16)17/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19)/p-1/t10-,11-/m1/s1
InChIKeyAORNSVSZZRQDEM-GHMZBOCLSA-M
MW260.31 g/mol
LogP1.30
Rot. Bonds4

About (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate

(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 2442336) has the molecular formula C15H18NO3- and a molecular weight of 260.31 g/mol. Its IUPAC name is (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID2442336
Molecular FormulaC15H18NO3-
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
SMILESCC[C@@H](C)c1ccccc1N1C[C@H](C(=O)[O-])CC1=O
InChIInChI=1S/C15H19NO3/c1-3-10(2)12-6-4-5-7-13(12)16-9-11(15(18)19)8-14(16)17/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19)/p-1/t10-,11-/m1/s1
InChIKeyAORNSVSZZRQDEM-GHMZBOCLSA-M
XLogP1.30
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
1-(2-butan-2-ylphenyl)-N-(1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78856916
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
1-(2-butan-2-ylphenyl)-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 111561327
1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42989600
1-(2-butan-2-ylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 86908073
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
CID 47004549
3-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119232628
methyl 2-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 55343911
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
cis-(1S,3R)-3-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675294

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate (CID 2442336) is (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate is CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)[O-])CC1=O.
What is the InChIKey of (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is AORNSVSZZRQDEM-GHMZBOCLSA-M. The full InChI is InChI=1S/C15H19NO3/c1-3-10(2)12-6-4-5-7-13(12)16-9-11(15(18)19)8-14(16)17/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19)/p-1/t10-,11-/m1/s1.
What are the key properties of (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate?
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 2442336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).