1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid

C11H15N5O4 — CID 66289334

IUPAC1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)Cn1cc(C(=O)O)nn1
InChIInChI=1S/C11H15N5O4/c1-12-10(18)8-3-2-4-16(8)9(17)6-15-5-7(11(19)20)13-14-15/h5,8H,2-4,6H2,1H3,(H,12,18)(H,19,20)
InChIKeyUILPSJRQOARPET-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.29
Rot. Bonds4

About 1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid

1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 66289334) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID66289334
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)Cn1cc(C(=O)O)nn1
InChIInChI=1S/C11H15N5O4/c1-12-10(18)8-3-2-4-16(8)9(17)6-15-5-7(11(19)20)13-14-15/h5,8H,2-4,6H2,1H3,(H,12,18)(H,19,20)
InChIKeyUILPSJRQOARPET-UHFFFAOYSA-N
XLogP-1.29
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289534
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
(2R)-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371665
1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
CID 63578946
1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059933
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289739
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953494
1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66288927
2-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 112685367
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 123974612

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid (CID 66289334) is 1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid is CNC(=O)C1CCCN1C(=O)Cn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is UILPSJRQOARPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-12-10(18)8-3-2-4-16(8)9(17)6-15-5-7(11(19)20)13-14-15/h5,8H,2-4,6H2,1H3,(H,12,18)(H,19,20).
What are the key properties of 1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid?
1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 66289334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).