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

C12H15N3O4 — CID 79331753

IUPAC2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C12H15N3O4/c16-10(17)7-15-6-2-4-9(15)12(19)14-8-3-1-5-13-11(8)18/h2,4,6,8H,1,3,5,7H2,(H,13,18)(H,14,19)(H,16,17)
InChIKeyBVCPAEUFWONWIH-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.42
Rot. Bonds4

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

2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79331753) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79331753
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C12H15N3O4/c16-10(17)7-15-6-2-4-9(15)12(19)14-8-3-1-5-13-11(8)18/h2,4,6,8H,1,3,5,7H2,(H,13,18)(H,14,19)(H,16,17)
InChIKeyBVCPAEUFWONWIH-UHFFFAOYSA-N
XLogP-0.42
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.42
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
N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 71935632
2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79330927
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 114156976
2-[2-[(1-methylpiperidin-4-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324781
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
2-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79322092
4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 62093648
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79331753) is 2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid is O=C(O)Cn1cccc1C(=O)NC1CCCNC1=O.
What is the InChIKey of 2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is BVCPAEUFWONWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10(17)7-15-6-2-4-9(15)12(19)14-8-3-1-5-13-11(8)18/h2,4,6,8H,1,3,5,7H2,(H,13,18)(H,14,19)(H,16,17).
What are the key properties of 2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 265.27 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79331753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).