2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid

C11H13N3O4 — CID 114156976

IUPAC2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H13N3O4/c15-9-4-7(5-12-9)13-11(18)8-2-1-3-14(8)6-10(16)17/h1-3,7H,4-6H2,(H,12,15)(H,13,18)(H,16,17)
InChIKeyOURGVMOFJXRUIH-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.81
Rot. Bonds4

About 2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 114156976) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID114156976
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H13N3O4/c15-9-4-7(5-12-9)13-11(18)8-2-1-3-14(8)6-10(16)17/h1-3,7H,4-6H2,(H,12,15)(H,13,18)(H,16,17)
InChIKeyOURGVMOFJXRUIH-UHFFFAOYSA-N
XLogP-0.81
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,6-dioxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331238
2-[2-[(1-methylpiperidin-4-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324781
N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609897
2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79330927
2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331753
2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331220
2-[2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331133
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
CID 112707991
2-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79322092
2-[2-(piperidin-1-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 83022515
1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid
CID 131001793

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid (CID 114156976) is 2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid is O=C(O)Cn1cccc1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is OURGVMOFJXRUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-9-4-7(5-12-9)13-11(18)8-2-1-3-14(8)6-10(16)17/h1-3,7H,4-6H2,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 251.24 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 114156976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).