2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid

C15H21N3O2 — CID 106488013

IUPAC2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid
SMILESCCCC(CN)(Cc1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C15H21N3O2/c1-3-8-15(10-16,14(19)20)9-12-11-6-4-5-7-13(11)18(2)17-12/h4-7H,3,8-10,16H2,1-2H3,(H,19,20)
InChIKeyILSIWJWXNPXTEJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.95
Rot. Bonds6

About 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid

2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid (PubChem CID 106488013) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid
PubChem CID106488013
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid
SMILESCCCC(CN)(Cc1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C15H21N3O2/c1-3-8-15(10-16,14(19)20)9-12-11-6-4-5-7-13(11)18(2)17-12/h4-7H,3,8-10,16H2,1-2H3,(H,19,20)
InChIKeyILSIWJWXNPXTEJ-UHFFFAOYSA-N
XLogP1.95
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid (CID 106488013) is 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid is CCCC(CN)(Cc1nn(C)c2ccccc12)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid?
The InChIKey is ILSIWJWXNPXTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-8-15(10-16,14(19)20)9-12-11-6-4-5-7-13(11)18(2)17-12/h4-7H,3,8-10,16H2,1-2H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid?
2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid is sourced from PubChem (CID 106488013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).