5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid

C11H11N3O3 — CID 82128968

IUPAC5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid
SMILESNC1=C(C(=O)O)CC(=O)N1Cc1ccccn1
InChIInChI=1S/C11H11N3O3/c12-10-8(11(16)17)5-9(15)14(10)6-7-3-1-2-4-13-7/h1-4H,5-6,12H2,(H,16,17)
InChIKeyKKQUFNLFBKSTFW-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.07
Rot. Bonds3

About 5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid

5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid (PubChem CID 82128968) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid
PubChem CID82128968
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid
SMILESNC1=C(C(=O)O)CC(=O)N1Cc1ccccn1
InChIInChI=1S/C11H11N3O3/c12-10-8(11(16)17)5-9(15)14(10)6-7-3-1-2-4-13-7/h1-4H,5-6,12H2,(H,16,17)
InChIKeyKKQUFNLFBKSTFW-UHFFFAOYSA-N
XLogP0.07
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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6-amino-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
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3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423586
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
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CID 2926624

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid?
The IUPAC name of 5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid (CID 82128968) is 5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid is NC1=C(C(=O)O)CC(=O)N1Cc1ccccn1.
What is the InChIKey of 5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid?
The InChIKey is KKQUFNLFBKSTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-10-8(11(16)17)5-9(15)14(10)6-7-3-1-2-4-13-7/h1-4H,5-6,12H2,(H,16,17).
What are the key properties of 5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid?
5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid is sourced from PubChem (CID 82128968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).