dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate

C17H20N2O6 — CID 95742879

IUPACdimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate
SMILESCOC(=O)C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)OC
InChIInChI=1S/C17H20N2O6/c1-24-15(21)10-13(17(23)25-2)18-16(22)11-5-3-6-12(9-11)19-8-4-7-14(19)20/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyBLEOZLNSVZXAOF-CYBMUJFWSA-N
MW348.36 g/mol
LogP0.65
Rot. Bonds6

About dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate

dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate (PubChem CID 95742879) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate.

Molecular Properties

Compound Namedimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate
PubChem CID95742879
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Namedimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate
SMILESCOC(=O)C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)OC
InChIInChI=1S/C17H20N2O6/c1-24-15(21)10-13(17(23)25-2)18-16(22)11-5-3-6-12(9-11)19-8-4-7-14(19)20/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyBLEOZLNSVZXAOF-CYBMUJFWSA-N
XLogP0.65
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
(E)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]hex-4-enoic acid
CID 120692659
(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 51521923
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704
N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 133199704
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119566322
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate?
The IUPAC name of dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate (CID 95742879) is dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate.
What is the SMILES notation for dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate?
The canonical SMILES for dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate is COC(=O)C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate?
The InChIKey is BLEOZLNSVZXAOF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-24-15(21)10-13(17(23)25-2)18-16(22)11-5-3-6-12(9-11)19-8-4-7-14(19)20/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate?
dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate has a molecular weight of 348.36 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate is sourced from PubChem (CID 95742879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).