1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid

C14H14N2O3 — CID 84756160

IUPAC1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid
SMILESNC(=O)Cn1ccc(C(=O)O)c1Cc1ccccc1
InChIInChI=1S/C14H14N2O3/c15-13(17)9-16-7-6-11(14(18)19)12(16)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,15,17)(H,18,19)
InChIKeyGQFVOPMGSRMCLX-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.26
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid

1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid (PubChem CID 84756160) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid
PubChem CID84756160
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid
SMILESNC(=O)Cn1ccc(C(=O)O)c1Cc1ccccc1
InChIInChI=1S/C14H14N2O3/c15-13(17)9-16-7-6-11(14(18)19)12(16)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,15,17)(H,18,19)
InChIKeyGQFVOPMGSRMCLX-UHFFFAOYSA-N
XLogP1.26
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-propylpyrrole-3-carboxylic acid
CID 84755817
1-(carboxymethyl)-2-ethylpyrrole-3-carboxylic acid
CID 84755749
2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid
CID 84756196
1,5-dibenzylpyrazole-4-carboxylic acid
CID 121436106
ethyl 3-[3-benzyl-1-(2-ethoxy-2-oxoethyl)pyrrol-2-yl]propanoate
CID 91133025
1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid
CID 84755807
2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 84756136
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
1-(4-amino-4-oxobutyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755912
5-benzyl-1-bromotriazole-4-carboxylic acid
CID 156756339
2-amino-5-benzylbenzoic acid
CID 23538086
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid (CID 84756160) is 1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid is NC(=O)Cn1ccc(C(=O)O)c1Cc1ccccc1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid?
The InChIKey is GQFVOPMGSRMCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-13(17)9-16-7-6-11(14(18)19)12(16)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,15,17)(H,18,19).
What are the key properties of 1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid?
1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid is sourced from PubChem (CID 84756160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).