2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid

C14H11N3O5 — CID 59340046

IUPAC2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(C#N)ccc21
InChIInChI=1S/C14H11N3O5/c1-17-9-3-2-7(5-15)4-8(9)12(20)11(14(17)22)13(21)16-6-10(18)19/h2-4,20H,6H2,1H3,(H,16,21)(H,18,19)
InChIKeyYNLOPXZRGDOVFA-UHFFFAOYSA-N
MW301.26 g/mol
LogP-0.07
Rot. Bonds3

About 2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid

2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid (PubChem CID 59340046) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
PubChem CID59340046
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC Name2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(C#N)ccc21
InChIInChI=1S/C14H11N3O5/c1-17-9-3-2-7(5-15)4-8(9)12(20)11(14(17)22)13(21)16-6-10(18)19/h2-4,20H,6H2,1H3,(H,16,21)(H,18,19)
InChIKeyYNLOPXZRGDOVFA-UHFFFAOYSA-N
XLogP-0.07
TPSA132.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid (CID 59340046) is 2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(C#N)ccc21.
What is the InChIKey of 2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
The InChIKey is YNLOPXZRGDOVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5/c1-17-9-3-2-7(5-15)4-8(9)12(20)11(14(17)22)13(21)16-6-10(18)19/h2-4,20H,6H2,1H3,(H,16,21)(H,18,19).
What are the key properties of 2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid has a molecular weight of 301.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 59340046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).