2-methyl-2-(phthalazin-1-ylamino)pentanoic acid

C14H17N3O2 — CID 43619317

IUPAC2-methyl-2-(phthalazin-1-ylamino)pentanoic acid
SMILESCCCC(C)(Nc1nncc2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-3-8-14(2,13(18)19)16-12-11-7-5-4-6-10(11)9-15-17-12/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFGKCQENLOOLYIR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.69
Rot. Bonds5

About 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid

2-methyl-2-(phthalazin-1-ylamino)pentanoic acid (PubChem CID 43619317) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(phthalazin-1-ylamino)pentanoic acid
PubChem CID43619317
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-methyl-2-(phthalazin-1-ylamino)pentanoic acid
SMILESCCCC(C)(Nc1nncc2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-3-8-14(2,13(18)19)16-12-11-7-5-4-6-10(11)9-15-17-12/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFGKCQENLOOLYIR-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-2-methyl-2-(phthalazin-1-ylamino)propanoic acid
CID 79798204
2-(1,2-benzoxazol-3-ylamino)-2-methylpentanoic acid
CID 114265510
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849
N-tert-butyl-2-(phthalazin-1-ylamino)acetamide
CID 78911728
2-anilino-2-methylpentanoic acid
CID 60992039
2-(phthalazin-1-ylamino)acetamide
CID 43395562
N-[1-chloro-2-(chloromethyl)butan-2-yl]phthalazin-1-amine
CID 114010824
2-(phthalazin-1-ylamino)ethanol
CID 2065587
N-(2-methyl-2-methylsulfonylpropyl)phthalazin-1-amine
CID 79563207
ethyl N-(phthalazin-1-ylamino)carbamate;hydrochloride
CID 19604
2-(2-ethylanilino)-2-methylpentanoic acid
CID 114992150
2-[(7-methoxyisoquinolin-1-yl)amino]-2-methylpentanoic acid
CID 106535969

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid (CID 43619317) is 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid is CCCC(C)(Nc1nncc2ccccc12)C(=O)O.
What is the InChIKey of 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid?
The InChIKey is FGKCQENLOOLYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-8-14(2,13(18)19)16-12-11-7-5-4-6-10(11)9-15-17-12/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid?
2-methyl-2-(phthalazin-1-ylamino)pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(phthalazin-1-ylamino)pentanoic acid is sourced from PubChem (CID 43619317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).