2-(1,5-diamino-2-methylpentyl)terephthalic acid

C14H20N2O4 — CID 57237249

IUPAC2-(1,5-diamino-2-methylpentyl)terephthalic acid
SMILESCC(CCCN)C(N)c1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-8(3-2-6-15)12(16)11-7-9(13(17)18)4-5-10(11)14(19)20/h4-5,7-8,12H,2-3,6,15-16H2,1H3,(H,17,18)(H,19,20)
InChIKeyILCXOFMGPWWWRK-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.46
Rot. Bonds7

About 2-(1,5-diamino-2-methylpentyl)terephthalic acid

2-(1,5-diamino-2-methylpentyl)terephthalic acid (PubChem CID 57237249) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(1,5-diamino-2-methylpentyl)terephthalic acid.

Molecular Properties

Compound Name2-(1,5-diamino-2-methylpentyl)terephthalic acid
PubChem CID57237249
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(1,5-diamino-2-methylpentyl)terephthalic acid
SMILESCC(CCCN)C(N)c1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-8(3-2-6-15)12(16)11-7-9(13(17)18)4-5-10(11)14(19)20/h4-5,7-8,12H,2-3,6,15-16H2,1H3,(H,17,18)(H,19,20)
InChIKeyILCXOFMGPWWWRK-UHFFFAOYSA-N
XLogP1.46
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(1,5-diamino-2-methylpentyl)terephthalic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-diamino-2-methylpentyl)terephthalic acid?
The IUPAC name of 2-(1,5-diamino-2-methylpentyl)terephthalic acid (CID 57237249) is 2-(1,5-diamino-2-methylpentyl)terephthalic acid.
What is the SMILES notation for 2-(1,5-diamino-2-methylpentyl)terephthalic acid?
The canonical SMILES for 2-(1,5-diamino-2-methylpentyl)terephthalic acid is CC(CCCN)C(N)c1cc(C(=O)O)ccc1C(=O)O.
What is the InChIKey of 2-(1,5-diamino-2-methylpentyl)terephthalic acid?
The InChIKey is ILCXOFMGPWWWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8(3-2-6-15)12(16)11-7-9(13(17)18)4-5-10(11)14(19)20/h4-5,7-8,12H,2-3,6,15-16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(1,5-diamino-2-methylpentyl)terephthalic acid?
2-(1,5-diamino-2-methylpentyl)terephthalic acid has a molecular weight of 280.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-diamino-2-methylpentyl)terephthalic acid is sourced from PubChem (CID 57237249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).