2-(dibenzylamino)-4-methylpentanoic acid

C20H25NO2 — CID 3471489

IUPAC2-(dibenzylamino)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO2/c1-16(2)13-19(20(22)23)21(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,22,23)
InChIKeyFSACAIPYCHIDCK-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.19
Rot. Bonds8

About 2-(dibenzylamino)-4-methylpentanoic acid

2-(dibenzylamino)-4-methylpentanoic acid (PubChem CID 3471489) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(dibenzylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(dibenzylamino)-4-methylpentanoic acid
PubChem CID3471489
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(dibenzylamino)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO2/c1-16(2)13-19(20(22)23)21(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,22,23)
InChIKeyFSACAIPYCHIDCK-UHFFFAOYSA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(dibenzylamino)-4-methylpentanoic acid (CID 3471489) is 2-(dibenzylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(dibenzylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(dibenzylamino)-4-methylpentanoic acid is CC(C)CC(C(=O)O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-4-methylpentanoic acid?
The InChIKey is FSACAIPYCHIDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(2)13-19(20(22)23)21(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,22,23).
What are the key properties of 2-(dibenzylamino)-4-methylpentanoic acid?
2-(dibenzylamino)-4-methylpentanoic acid has a molecular weight of 311.43 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-4-methylpentanoic acid is sourced from PubChem (CID 3471489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).