2-amino-5-(dibenzylamino)-5-oxopentanoic acid

C19H22N2O3 — CID 69304908

IUPAC2-amino-5-(dibenzylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H22N2O3/c20-17(19(23)24)11-12-18(22)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14,20H2,(H,23,24)
InChIKeyITUTXSJVMDCZGI-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.41
Rot. Bonds8

About 2-amino-5-(dibenzylamino)-5-oxopentanoic acid

2-amino-5-(dibenzylamino)-5-oxopentanoic acid (PubChem CID 69304908) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-amino-5-(dibenzylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-(dibenzylamino)-5-oxopentanoic acid
PubChem CID69304908
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-amino-5-(dibenzylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H22N2O3/c20-17(19(23)24)11-12-18(22)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14,20H2,(H,23,24)
InChIKeyITUTXSJVMDCZGI-UHFFFAOYSA-N
XLogP2.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-5-[benzyl(methyl)amino]-5-oxopentanoic acid;hydrochloride
CID 166748454
N',N'-dibenzylbutanediamide
CID 101024490
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616
2-amino-4-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 60929403
2-amino-N,N-dibenzylacetamide
CID 11107897
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
CID 61014679
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
CID 120565080
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-7-phenylheptanoic acid
CID 85132413
N,N-dibenzyl-4-trimethylsilylbutanamide
CID 16744462
N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide
CID 57055872
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(dibenzylamino)-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-(dibenzylamino)-5-oxopentanoic acid (CID 69304908) is 2-amino-5-(dibenzylamino)-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-(dibenzylamino)-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-(dibenzylamino)-5-oxopentanoic acid is NC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-5-(dibenzylamino)-5-oxopentanoic acid?
The InChIKey is ITUTXSJVMDCZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c20-17(19(23)24)11-12-18(22)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14,20H2,(H,23,24).
What are the key properties of 2-amino-5-(dibenzylamino)-5-oxopentanoic acid?
2-amino-5-(dibenzylamino)-5-oxopentanoic acid has a molecular weight of 326.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(dibenzylamino)-5-oxopentanoic acid is sourced from PubChem (CID 69304908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).