1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C13H15N3O4 — CID 50873701

IUPAC1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C(N)=O)cc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C13H15N3O4/c1-20-10-3-2-7(12(14)18)4-9(10)16-6-8(13(15)19)5-11(16)17/h2-4,8H,5-6H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyQJIREXQVPDTBQR-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.37
Rot. Bonds4

About 1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50873701) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50873701
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C(N)=O)cc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C13H15N3O4/c1-20-10-3-2-7(12(14)18)4-9(10)16-6-8(13(15)19)5-11(16)17/h2-4,8H,5-6H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyQJIREXQVPDTBQR-UHFFFAOYSA-N
XLogP-0.37
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
(3S)-1-(4-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076113
ethyl 1-(5-ethoxycarbonyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50873677
ethyl (3S)-1-(5-ethoxycarbonyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94076061
1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696507
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168696830
methyl (3R)-1-(5-amino-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075968
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696566
1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696136
methyl 4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-iodobenzoate
CID 168696403
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744

Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 50873701) is 1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C(N)=O)cc1N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QJIREXQVPDTBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-20-10-3-2-7(12(14)18)4-9(10)16-6-8(13(15)19)5-11(16)17/h2-4,8H,5-6H2,1H3,(H2,14,18)(H2,15,19).
What are the key properties of 1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 277.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50873701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).