dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate

C19H24N2O7 — CID 9364852

IUPACdimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC[C@@H](C)N1C[C@H](C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1=O
InChIInChI=1S/C19H24N2O7/c1-11(10-26-2)21-9-13(8-16(21)22)17(23)20-15-7-12(18(24)27-3)5-6-14(15)19(25)28-4/h5-7,11,13H,8-10H2,1-4H3,(H,20,23)/t11-,13-/m1/s1
InChIKeyGOJJOQSNUFENRS-DGCLKSJQSA-N
MW392.41 g/mol
LogP1.08
Rot. Bonds7

About dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate (PubChem CID 9364852) has the molecular formula C19H24N2O7 and a molecular weight of 392.41 g/mol. Its IUPAC name is dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
PubChem CID9364852
Molecular FormulaC19H24N2O7
Molecular Weight392.41 g/mol
Exact Mass392.16
IUPAC Namedimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC[C@@H](C)N1C[C@H](C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1=O
InChIInChI=1S/C19H24N2O7/c1-11(10-26-2)21-9-13(8-16(21)22)17(23)20-15-7-12(18(24)27-3)5-6-14(15)19(25)28-4/h5-7,11,13H,8-10H2,1-4H3,(H,20,23)/t11-,13-/m1/s1
InChIKeyGOJJOQSNUFENRS-DGCLKSJQSA-N
XLogP1.08
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

dimethyl 5-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 9364912
dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 108793757
ethyl 2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9365051
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109
N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17187461
(3S)-N-(2-bromophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365320
(3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365005
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(3R)-N-(2,3-dichlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365195
(3S)-N-(4-bromo-2-fluorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365085
(3R)-N-(3,5-dimethylphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449876

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate (CID 9364852) is dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate is COC[C@@H](C)N1C[C@H](C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1=O.
What is the InChIKey of dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is GOJJOQSNUFENRS-DGCLKSJQSA-N. The full InChI is InChI=1S/C19H24N2O7/c1-11(10-26-2)21-9-13(8-16(21)22)17(23)20-15-7-12(18(24)27-3)5-6-14(15)19(25)28-4/h5-7,11,13H,8-10H2,1-4H3,(H,20,23)/t11-,13-/m1/s1.
What are the key properties of dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 392.41 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 9364852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).