2-[(4-methylphthalazin-1-yl)amino]acetic acid

C11H11N3O2 — CID 43419809

IUPAC2-[(4-methylphthalazin-1-yl)amino]acetic acid
SMILESCc1nnc(NCC(=O)O)c2ccccc12
InChIInChI=1S/C11H11N3O2/c1-7-8-4-2-3-5-9(8)11(14-13-7)12-6-10(15)16/h2-5H,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyKTPHMEQIWYTRFX-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.43
Rot. Bonds3

About 2-[(4-methylphthalazin-1-yl)amino]acetic acid

2-[(4-methylphthalazin-1-yl)amino]acetic acid (PubChem CID 43419809) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[(4-methylphthalazin-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylphthalazin-1-yl)amino]acetic acid
PubChem CID43419809
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-[(4-methylphthalazin-1-yl)amino]acetic acid
SMILESCc1nnc(NCC(=O)O)c2ccccc12
InChIInChI=1S/C11H11N3O2/c1-7-8-4-2-3-5-9(8)11(14-13-7)12-6-10(15)16/h2-5H,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyKTPHMEQIWYTRFX-UHFFFAOYSA-N
XLogP1.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-methylphthalazin-1-yl)amino]acetate
CID 43419766
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
3-methyl-2-[[(4-methylphthalazin-1-yl)amino]methyl]butanoic acid
CID 65226715
N-butyl-4-methylphthalazin-1-amine
CID 43395112
2-methyl-3-[(4-methylphthalazin-1-yl)amino]propan-1-ol
CID 61362219
1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid
CID 61291976
[1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol
CID 115360695
2-[(4-methylphthalazin-1-yl)amino]pentanoic acid
CID 43631341
2-[(5-methylisoquinolin-1-yl)amino]acetic acid
CID 82570882
5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol
CID 107269340
N-(3-chlorobutyl)-4-methylphthalazin-1-amine
CID 65028371
N-hexyl-4-methylphthalazin-1-amine
CID 60642126

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphthalazin-1-yl)amino]acetic acid?
The IUPAC name of 2-[(4-methylphthalazin-1-yl)amino]acetic acid (CID 43419809) is 2-[(4-methylphthalazin-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methylphthalazin-1-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-methylphthalazin-1-yl)amino]acetic acid is Cc1nnc(NCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[(4-methylphthalazin-1-yl)amino]acetic acid?
The InChIKey is KTPHMEQIWYTRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-8-4-2-3-5-9(8)11(14-13-7)12-6-10(15)16/h2-5H,6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(4-methylphthalazin-1-yl)amino]acetic acid?
2-[(4-methylphthalazin-1-yl)amino]acetic acid has a molecular weight of 217.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphthalazin-1-yl)amino]acetic acid is sourced from PubChem (CID 43419809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).