2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid

C13H20N2O4 — CID 168695813

IUPAC2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid
SMILESNC(=O)C1CC(=O)N(C(C(=O)O)C2CCCCC2)C1
InChIInChI=1S/C13H20N2O4/c14-12(17)9-6-10(16)15(7-9)11(13(18)19)8-4-2-1-3-5-8/h8-9,11H,1-7H2,(H2,14,17)(H,18,19)
InChIKeyMLDIHSOGLBKNQJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.35
Rot. Bonds4

About 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid

2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid (PubChem CID 168695813) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid
PubChem CID168695813
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid
SMILESNC(=O)C1CC(=O)N(C(C(=O)O)C2CCCCC2)C1
InChIInChI=1S/C13H20N2O4/c14-12(17)9-6-10(16)15(7-9)11(13(18)19)8-4-2-1-3-5-8/h8-9,11H,1-7H2,(H2,14,17)(H,18,19)
InChIKeyMLDIHSOGLBKNQJ-UHFFFAOYSA-N
XLogP0.35
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716627
2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661742
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-cyclopentylacetic acid
CID 168506710
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168695626
2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid
CID 61015441
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168683792
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylsulfanylbutanoic acid
CID 168695770
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid
CID 168695905

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid?
The IUPAC name of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid (CID 168695813) is 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid.
What is the SMILES notation for 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid?
The canonical SMILES for 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid is NC(=O)C1CC(=O)N(C(C(=O)O)C2CCCCC2)C1.
What is the InChIKey of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid?
The InChIKey is MLDIHSOGLBKNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c14-12(17)9-6-10(16)15(7-9)11(13(18)19)8-4-2-1-3-5-8/h8-9,11H,1-7H2,(H2,14,17)(H,18,19).
What are the key properties of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid?
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.35, 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-cyclohexylacetic acid is sourced from PubChem (CID 168695813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).