1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid

C12H16N2O4 — CID 79324531

IUPAC1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC(=O)N1CCC(O)CC1
InChIInChI=1S/C12H16N2O4/c15-9-3-6-13(7-4-9)11(16)8-14-5-1-2-10(14)12(17)18/h1-2,5,9,15H,3-4,6-8H2,(H,17,18)
InChIKeyGUZZPODSCNMXDN-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.17
Rot. Bonds3

About 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79324531) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79324531
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC(=O)N1CCC(O)CC1
InChIInChI=1S/C12H16N2O4/c15-9-3-6-13(7-4-9)11(16)8-14-5-1-2-10(14)12(17)18/h1-2,5,9,15H,3-4,6-8H2,(H,17,18)
InChIKeyGUZZPODSCNMXDN-UHFFFAOYSA-N
XLogP0.17
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325282
1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325276
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 112627151
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324412
2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79331961
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325054
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 20889311
1-[2-(2-ethylazepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 104691186
1-phenacylpyrrole-2-carboxylic acid
CID 58406327
[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate
CID 14033062
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79324531) is 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1CC(=O)N1CCC(O)CC1.
What is the InChIKey of 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is GUZZPODSCNMXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-9-3-6-13(7-4-9)11(16)8-14-5-1-2-10(14)12(17)18/h1-2,5,9,15H,3-4,6-8H2,(H,17,18).
What are the key properties of 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79324531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).