2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid

C14H16N2O4 — CID 168695785

IUPAC2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(C(=O)O)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C14H16N2O4/c1-8-4-2-3-5-10(8)12(14(19)20)16-7-9(13(15)18)6-11(16)17/h2-5,9,12H,6-7H2,1H3,(H2,15,18)(H,19,20)
InChIKeyXTMYNRTWVMOTKO-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.45
Rot. Bonds4

About 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid

2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid (PubChem CID 168695785) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
PubChem CID168695785
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(C(=O)O)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C14H16N2O4/c1-8-4-2-3-5-10(8)12(14(19)20)16-7-9(13(15)18)6-11(16)17/h2-5,9,12H,6-7H2,1H3,(H2,15,18)(H,19,20)
InChIKeyXTMYNRTWVMOTKO-UHFFFAOYSA-N
XLogP0.45
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid
CID 168695804
2-(4-chloro-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
CID 168687004
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 168658891
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
CID 168683679
2-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 168666029
2-(3-bromophenyl)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168695805
2-(2-fluorophenyl)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168692725
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168695656
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 168695593
(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168692814

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid (CID 168695785) is 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid is Cc1ccccc1C(C(=O)O)N1CC(C(N)=O)CC1=O.
What is the InChIKey of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid?
The InChIKey is XTMYNRTWVMOTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-4-2-3-5-10(8)12(14(19)20)16-7-9(13(15)18)6-11(16)17/h2-5,9,12H,6-7H2,1H3,(H2,15,18)(H,19,20).
What are the key properties of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid?
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid has a molecular weight of 276.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 168695785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).