1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid

C13H18N2O4 — CID 112627151

IUPAC1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCC(O)C1CCN(C(=O)Cn2cccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-9(16)10-4-6-15(7-10)12(17)8-14-5-2-3-11(14)13(18)19/h2-3,5,9-10,16H,4,6-8H2,1H3,(H,18,19)
InChIKeyQVTRBHVABAZXOR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.42
Rot. Bonds4

About 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 112627151) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID112627151
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCC(O)C1CCN(C(=O)Cn2cccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-9(16)10-4-6-15(7-10)12(17)8-14-5-2-3-11(14)13(18)19/h2-3,5,9-10,16H,4,6-8H2,1H3,(H,18,19)
InChIKeyQVTRBHVABAZXOR-UHFFFAOYSA-N
XLogP0.42
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 112627156
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324531
1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325282
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
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 110023664
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 115965184
2-(2-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112623814
2-(2,6-dimethylanilino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110022871
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103975815
(3R)-3-(4-fluorophenyl)-1-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butan-1-one
CID 97347286
(3R)-3-(4-fluorophenyl)-1-[(3S)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butan-1-one
CID 97347284
1-[2-(2-ethylazepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 104691186

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 112627151) is 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid is CC(O)C1CCN(C(=O)Cn2cccc2C(=O)O)C1.
What is the InChIKey of 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is QVTRBHVABAZXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(16)10-4-6-15(7-10)12(17)8-14-5-2-3-11(14)13(18)19/h2-3,5,9-10,16H,4,6-8H2,1H3,(H,18,19).
What are the key properties of 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 112627151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).