methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate

C13H14N2O4 — CID 95984956

IUPACmethyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N[C@H]2CNC(=O)C2)cc1
InChIInChI=1S/C13H14N2O4/c1-19-13(18)9-4-2-8(3-5-9)12(17)15-10-6-11(16)14-7-10/h2-5,10H,6-7H2,1H3,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyLYVFGRSNVSIWAU-SNVBAGLBSA-N
MW262.26 g/mol
LogP0.09
Rot. Bonds3

About methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate

methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate (PubChem CID 95984956) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
PubChem CID95984956
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N[C@H]2CNC(=O)C2)cc1
InChIInChI=1S/C13H14N2O4/c1-19-13(18)9-4-2-8(3-5-9)12(17)15-10-6-11(16)14-7-10/h2-5,10H,6-7H2,1H3,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyLYVFGRSNVSIWAU-SNVBAGLBSA-N
XLogP0.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-oxopyrrolidin-3-yl)-4-sulfanylbenzamide
CID 106198052
N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 71789114
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
N-[(3R)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 95985002
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 112534753
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
CID 136521548
N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 56765647
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495
4-methoxy-N-(2-oxoazepan-4-yl)benzamide
CID 19090438
methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688
3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide
CID 106197813

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate (CID 95984956) is methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)N[C@H]2CNC(=O)C2)cc1.
What is the InChIKey of methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate?
The InChIKey is LYVFGRSNVSIWAU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-19-13(18)9-4-2-8(3-5-9)12(17)15-10-6-11(16)14-7-10/h2-5,10H,6-7H2,1H3,(H,14,16)(H,15,17)/t10-/m1/s1.
What are the key properties of methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate?
methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate has a molecular weight of 262.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate is sourced from PubChem (CID 95984956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).