3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid

C10H16N2O4 — CID 168695710

IUPAC3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
SMILESCCC(CC(=O)O)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C10H16N2O4/c1-2-7(4-9(14)15)12-5-6(10(11)16)3-8(12)13/h6-7H,2-5H2,1H3,(H2,11,16)(H,14,15)
InChIKeyOEUNVANEWSVBMR-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.43
Rot. Bonds5

About 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid

3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid (PubChem CID 168695710) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
PubChem CID168695710
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
SMILESCCC(CC(=O)O)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C10H16N2O4/c1-2-7(4-9(14)15)12-5-6(10(11)16)3-8(12)13/h6-7H,2-5H2,1H3,(H2,11,16)(H,14,15)
InChIKeyOEUNVANEWSVBMR-UHFFFAOYSA-N
XLogP-0.43
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168695626
3-(2-oxo-4-sulfanylpyrrolidin-1-yl)pentanoic acid
CID 168707686
(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 168695754
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168661652
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119346721
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylsulfanylbutanoic acid
CID 168695770
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168695762
1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692637

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid (CID 168695710) is 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid is CCC(CC(=O)O)N1CC(C(N)=O)CC1=O.
What is the InChIKey of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid?
The InChIKey is OEUNVANEWSVBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-7(4-9(14)15)12-5-6(10(11)16)3-8(12)13/h6-7H,2-5H2,1H3,(H2,11,16)(H,14,15).
What are the key properties of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid?
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 168695710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).