5-(dibenzylamino)-5-oxopentanoic acid

C19H21NO3 — CID 2173499

IUPAC5-(dibenzylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(12-7-13-19(22)23)20(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,23)
InChIKeyDKXYVAJHUOXBJI-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.47
Rot. Bonds8

About 5-(dibenzylamino)-5-oxopentanoic acid

5-(dibenzylamino)-5-oxopentanoic acid (PubChem CID 2173499) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-(dibenzylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(dibenzylamino)-5-oxopentanoic acid
PubChem CID2173499
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name5-(dibenzylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(12-7-13-19(22)23)20(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,23)
InChIKeyDKXYVAJHUOXBJI-UHFFFAOYSA-N
XLogP3.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dibenzylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(dibenzylamino)-5-oxopentanoic acid (CID 2173499) is 5-(dibenzylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(dibenzylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(dibenzylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 5-(dibenzylamino)-5-oxopentanoic acid?
The InChIKey is DKXYVAJHUOXBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18(12-7-13-19(22)23)20(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,23).
What are the key properties of 5-(dibenzylamino)-5-oxopentanoic acid?
5-(dibenzylamino)-5-oxopentanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibenzylamino)-5-oxopentanoic acid is sourced from PubChem (CID 2173499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).