2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid

C14H15N3O4 — CID 119136397

IUPAC2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C14H15N3O4/c1-16(8-13(19)20)12(18)7-11-9-5-3-4-6-10(9)14(21)17(2)15-11/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKeyMVPXUYGVHIJKMD-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.02
Rot. Bonds4

About 2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid

2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid (PubChem CID 119136397) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid
PubChem CID119136397
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C14H15N3O4/c1-16(8-13(19)20)12(18)7-11-9-5-3-4-6-10(9)14(21)17(2)15-11/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKeyMVPXUYGVHIJKMD-UHFFFAOYSA-N
XLogP0.02
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid (CID 119136397) is 2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)Cc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of 2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid?
The InChIKey is MVPXUYGVHIJKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16(8-13(19)20)12(18)7-11-9-5-3-4-6-10(9)14(21)17(2)15-11/h3-6H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119136397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).