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

C14H17N3O2 — CID 43631341

IUPAC2-[(4-methylphthalazin-1-yl)amino]pentanoic acid
SMILESCCCC(Nc1nnc(C)c2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-3-6-12(14(18)19)15-13-11-8-5-4-7-10(11)9(2)16-17-13/h4-5,7-8,12H,3,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyPCMRHZISSONUKU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.60
Rot. Bonds5

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

2-[(4-methylphthalazin-1-yl)amino]pentanoic acid (PubChem CID 43631341) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(4-methylphthalazin-1-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-methylphthalazin-1-yl)amino]pentanoic acid
PubChem CID43631341
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(4-methylphthalazin-1-yl)amino]pentanoic acid
SMILESCCCC(Nc1nnc(C)c2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-3-6-12(14(18)19)15-13-11-8-5-4-7-10(11)9(2)16-17-13/h4-5,7-8,12H,3,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyPCMRHZISSONUKU-UHFFFAOYSA-N
XLogP2.60
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphthalazin-1-yl)amino]pentanoic acid?
The IUPAC name of 2-[(4-methylphthalazin-1-yl)amino]pentanoic acid (CID 43631341) is 2-[(4-methylphthalazin-1-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-methylphthalazin-1-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-methylphthalazin-1-yl)amino]pentanoic acid is CCCC(Nc1nnc(C)c2ccccc12)C(=O)O.
What is the InChIKey of 2-[(4-methylphthalazin-1-yl)amino]pentanoic acid?
The InChIKey is PCMRHZISSONUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-6-12(14(18)19)15-13-11-8-5-4-7-10(11)9(2)16-17-13/h4-5,7-8,12H,3,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(4-methylphthalazin-1-yl)amino]pentanoic acid?
2-[(4-methylphthalazin-1-yl)amino]pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.60, 5 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]pentanoic acid is sourced from PubChem (CID 43631341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).