3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid

C14H16N4O2 — CID 107325364

IUPAC3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nnc(N2CCC(N)(C(=O)O)C2)c2ccccc12
InChIInChI=1S/C14H16N4O2/c1-9-10-4-2-3-5-11(10)12(17-16-9)18-7-6-14(15,8-18)13(19)20/h2-5H,6-8,15H2,1H3,(H,19,20)
InChIKeyVGNKQULGPQRUQM-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.93
Rot. Bonds2

About 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325364) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325364
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nnc(N2CCC(N)(C(=O)O)C2)c2ccccc12
InChIInChI=1S/C14H16N4O2/c1-9-10-4-2-3-5-11(10)12(17-16-9)18-7-6-14(15,8-18)13(19)20/h2-5H,6-8,15H2,1H3,(H,19,20)
InChIKeyVGNKQULGPQRUQM-UHFFFAOYSA-N
XLogP0.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic 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-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid
CID 107325400
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
1-(4-methylphthalazin-1-yl)-4-phenylpiperidine-4-carbonitrile
CID 155980885
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393
3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 107325193
1-(4-methylphthalazin-1-yl)piperidin-4-one
CID 43395101
3-amino-1-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117011884
2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 31921028
1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 43517082
3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107325218
3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325371
3-amino-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 107325295

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid (CID 107325364) is 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid is Cc1nnc(N2CCC(N)(C(=O)O)C2)c2ccccc12.
What is the InChIKey of 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is VGNKQULGPQRUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-10-4-2-3-5-11(10)12(17-16-9)18-7-6-14(15,8-18)13(19)20/h2-5H,6-8,15H2,1H3,(H,19,20).
What are the key properties of 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).