5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid

C12H15N3O5 — CID 43358702

IUPAC5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCn1ccc(C(=O)NC(CCC(N)=O)C(=O)O)cc1=O
InChIInChI=1S/C12H15N3O5/c1-15-5-4-7(6-10(15)17)11(18)14-8(12(19)20)2-3-9(13)16/h4-6,8H,2-3H2,1H3,(H2,13,16)(H,14,18)(H,19,20)
InChIKeyQXWVZIZNNAFLQE-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.17
Rot. Bonds6

About 5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid

5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 43358702) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid
PubChem CID43358702
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCn1ccc(C(=O)NC(CCC(N)=O)C(=O)O)cc1=O
InChIInChI=1S/C12H15N3O5/c1-15-5-4-7(6-10(15)17)11(18)14-8(12(19)20)2-3-9(13)16/h4-6,8H,2-3H2,1H3,(H2,13,16)(H,14,18)(H,19,20)
InChIKeyQXWVZIZNNAFLQE-UHFFFAOYSA-N
XLogP-1.17
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid (CID 43358702) is 5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid is Cn1ccc(C(=O)NC(CCC(N)=O)C(=O)O)cc1=O.
What is the InChIKey of 5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is QXWVZIZNNAFLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-15-5-4-7(6-10(15)17)11(18)14-8(12(19)20)2-3-9(13)16/h4-6,8H,2-3H2,1H3,(H2,13,16)(H,14,18)(H,19,20).
What are the key properties of 5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 281.27 g/mol, XLogP of -1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 43358702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).