2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid

C10H9N3O3 — CID 119085133

IUPAC2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid
SMILESO=C(O)CNc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C10H9N3O3/c14-8(15)5-11-9-6-3-1-2-4-7(6)10(16)13-12-9/h1-4H,5H2,(H,11,12)(H,13,16)(H,14,15)
InChIKeyRPCHXLOMPJBGLM-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.42
Rot. Bonds3

About 2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid

2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid (PubChem CID 119085133) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid
PubChem CID119085133
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid
SMILESO=C(O)CNc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C10H9N3O3/c14-8(15)5-11-9-6-3-1-2-4-7(6)10(16)13-12-9/h1-4H,5H2,(H,11,12)(H,13,16)(H,14,15)
InChIKeyRPCHXLOMPJBGLM-UHFFFAOYSA-N
XLogP0.42
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamate
CID 20819597
4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane
CID 142215324
4-[3-(benzylamino)propylamino]-2H-phthalazin-1-one
CID 22343074
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide
CID 20819446
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-4-phenylbut-3-enamide
CID 91248532
2-[(4-methylphthalazin-1-yl)amino]acetic acid
CID 43419809
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-2-carboxamide
CID 20819526
4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one
CID 57187982
1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(2-phenylcyclopropyl)urea
CID 20818984
2,2-dichloro-1-methyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]cyclopropane-1-carboxamide
CID 20818805
1-diethoxyphosphoryl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea
CID 20818795
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(4-phenoxyphenyl)propanamide
CID 20819471

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid?
The IUPAC name of 2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid (CID 119085133) is 2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid is O=C(O)CNc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid?
The InChIKey is RPCHXLOMPJBGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-8(15)5-11-9-6-3-1-2-4-7(6)10(16)13-12-9/h1-4H,5H2,(H,11,12)(H,13,16)(H,14,15).
What are the key properties of 2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid?
2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid has a molecular weight of 219.20 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid is sourced from PubChem (CID 119085133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).