methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate

C20H29NO3 — CID 58608206

IUPACmethyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate
SMILESCC[C@@H](C)[C@@]1(C)CCN(C(CCc2ccccc2)C(=O)OC)C1=O
InChIInChI=1S/C20H29NO3/c1-5-15(2)20(3)13-14-21(19(20)23)17(18(22)24-4)12-11-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14H2,1-4H3/t15-,17?,20-/m1/s1
InChIKeyRAVGUZNXBFPJIS-QMBUQHDCSA-N
MW331.46 g/mol
LogP3.45
Rot. Bonds7

About methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate

methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate (PubChem CID 58608206) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate
PubChem CID58608206
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Namemethyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate
SMILESCC[C@@H](C)[C@@]1(C)CCN(C(CCc2ccccc2)C(=O)OC)C1=O
InChIInChI=1S/C20H29NO3/c1-5-15(2)20(3)13-14-21(19(20)23)17(18(22)24-4)12-11-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14H2,1-4H3/t15-,17?,20-/m1/s1
InChIKeyRAVGUZNXBFPJIS-QMBUQHDCSA-N
XLogP3.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate with MolForge

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Related Compounds

2-(3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl)-4-phenylbutanoic acid
CID 67271285
(2S)-2-[(3S)-3-acetamido-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl]-N-[3-(butylamino)propyl]-4-phenylbutanamide
CID 143195539
methyl 2-(4-butyl-2,3-dioxopiperazin-1-yl)-4-phenylbutanoate
CID 68669299
ethyl N-[3-[(2S)-butan-2-yl]-1-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 68823782
benzyl 6-butan-2-yl-1,3,6-trimethyl-7-oxoazepane-3-carboxylate
CID 167239523
(2S)-2-[(3S)-3-[(2S)-butan-2-yl]-2-oxo-3-(propanoylamino)pyrrolidin-1-yl]-N-[(2S,3R)-4-[(3-ethoxyphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-4-phenylbutanamide
CID 154454734
methyl 2-(1,4-diazepan-1-yl)-4-phenylbutanoate
CID 62879745
2-[(3S)-3-[(2S)-butan-2-yl]-3-[(2-methoxyacetyl)amino]-2-oxopyrrolidin-1-yl]-N-[(2R,3S)-2-hydroxy-1-[(3-methoxyphenyl)methylamino]-5-methylhexan-3-yl]-4-phenylbutanamide
CID 67559958
(2S)-2-[3-[(2S)-butan-2-yl]-3-[(2-methoxyacetyl)amino]-2-oxopyrrolidin-1-yl]-N-[(2R,3S)-2-hydroxy-1-[(3-methoxyphenyl)methylamino]-5-methylhexan-3-yl]-4-phenylbutanamide
CID 68823278
(2S)-2-[3-[(2S)-butan-2-yl]-3-[(2-methoxyacetyl)amino]-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-2-hydroxy-1-[(3-methoxyphenyl)methylamino]-5-methylhexan-3-yl]-4-phenylbutanamide
CID 68823279
(2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide
CID 57029258
(2S)-2-[(3S)-3-[(2S)-butan-2-yl]-3-[carbamoyl(ethyl)amino]-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylbutanamide
CID 68822200

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate?
The IUPAC name of methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate (CID 58608206) is methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate.
What is the SMILES notation for methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate?
The canonical SMILES for methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate is CC[C@@H](C)[C@@]1(C)CCN(C(CCc2ccccc2)C(=O)OC)C1=O.
What is the InChIKey of methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate?
The InChIKey is RAVGUZNXBFPJIS-QMBUQHDCSA-N. The full InChI is InChI=1S/C20H29NO3/c1-5-15(2)20(3)13-14-21(19(20)23)17(18(22)24-4)12-11-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14H2,1-4H3/t15-,17?,20-/m1/s1.
What are the key properties of methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate?
methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate has a molecular weight of 331.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate is sourced from PubChem (CID 58608206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).