(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid

C10H14N2O6 — CID 168695754

IUPAC(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)[C@@H](CC(=O)O)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C10H14N2O6/c1-18-10(17)6(3-8(14)15)12-4-5(9(11)16)2-7(12)13/h5-6H,2-4H2,1H3,(H2,11,16)(H,14,15)/t5?,6-/m1/s1
InChIKeyCEQMLGAPMATJQE-PRJDIBJQSA-N
MW258.23 g/mol
LogP-1.66
Rot. Bonds5

About (3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid

(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid (PubChem CID 168695754) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is (3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
PubChem CID168695754
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)[C@@H](CC(=O)O)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C10H14N2O6/c1-18-10(17)6(3-8(14)15)12-4-5(9(11)16)2-7(12)13/h5-6H,2-4H2,1H3,(H2,11,16)(H,14,15)/t5?,6-/m1/s1
InChIKeyCEQMLGAPMATJQE-PRJDIBJQSA-N
XLogP-1.66
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168695626
1-(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690223
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168695762
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylsulfanylbutanoic acid
CID 168695770
1-[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690228
2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid
CID 168692750
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 67414424
methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate
CID 168695756
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid
CID 168695905
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
5-(diaminomethylideneamino)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168692755

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid (CID 168695754) is (3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid is COC(=O)[C@@H](CC(=O)O)N1CC(C(N)=O)CC1=O.
What is the InChIKey of (3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid?
The InChIKey is CEQMLGAPMATJQE-PRJDIBJQSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-18-10(17)6(3-8(14)15)12-4-5(9(11)16)2-7(12)13/h5-6H,2-4H2,1H3,(H2,11,16)(H,14,15)/t5?,6-/m1/s1.
What are the key properties of (3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid?
(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid has a molecular weight of 258.23 g/mol, XLogP of -1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 168695754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).