(2S)-2-benzyl-2-(dibenzylamino)pentanoic acid

C26H29NO2 — CID 66813994

IUPAC(2S)-2-benzyl-2-(dibenzylamino)pentanoic acid
SMILESCCC[C@](Cc1ccccc1)(C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29NO2/c1-2-18-26(25(28)29,19-22-12-6-3-7-13-22)27(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17H,2,18-21H2,1H3,(H,28,29)/t26-/m0/s1
InChIKeyAJOVEYDQTBFIPY-SANMLTNESA-N
MW387.52 g/mol
LogP5.55
Rot. Bonds10

About (2S)-2-benzyl-2-(dibenzylamino)pentanoic acid

(2S)-2-benzyl-2-(dibenzylamino)pentanoic acid (PubChem CID 66813994) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is (2S)-2-benzyl-2-(dibenzylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-benzyl-2-(dibenzylamino)pentanoic acid
PubChem CID66813994
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name(2S)-2-benzyl-2-(dibenzylamino)pentanoic acid
SMILESCCC[C@](Cc1ccccc1)(C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29NO2/c1-2-18-26(25(28)29,19-22-12-6-3-7-13-22)27(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17H,2,18-21H2,1H3,(H,28,29)/t26-/m0/s1
InChIKeyAJOVEYDQTBFIPY-SANMLTNESA-N
XLogP5.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
(3S)-3-benzyl-4-bromo-3-(dibenzylamino)-2-oxobutanoyl bromide
CID 141138780
2-amino-2-benzylpentanoic acid
CID 24974249
1-phenylpentane-2,2-diol
CID 56635388
2,2-dimethylpentylbenzene
CID 15727699
N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine
CID 164668380
2-benzyl-2-propylpropanediamide
CID 131715569
2-benzyl-2-pentylpropanedioic acid
CID 141045476
2-benzyl-2-(2-methylpentan-2-yloxy)propanedioic acid
CID 134344561
2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid
CID 24974248
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
2-benzyl-2-ethoxycarbonylpentanoic acid
CID 103973697

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-2-(dibenzylamino)pentanoic acid?
The IUPAC name of (2S)-2-benzyl-2-(dibenzylamino)pentanoic acid (CID 66813994) is (2S)-2-benzyl-2-(dibenzylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-benzyl-2-(dibenzylamino)pentanoic acid?
The canonical SMILES for (2S)-2-benzyl-2-(dibenzylamino)pentanoic acid is CCC[C@](Cc1ccccc1)(C(=O)O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-benzyl-2-(dibenzylamino)pentanoic acid?
The InChIKey is AJOVEYDQTBFIPY-SANMLTNESA-N. The full InChI is InChI=1S/C26H29NO2/c1-2-18-26(25(28)29,19-22-12-6-3-7-13-22)27(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17H,2,18-21H2,1H3,(H,28,29)/t26-/m0/s1.
What are the key properties of (2S)-2-benzyl-2-(dibenzylamino)pentanoic acid?
(2S)-2-benzyl-2-(dibenzylamino)pentanoic acid has a molecular weight of 387.52 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-2-(dibenzylamino)pentanoic acid is sourced from PubChem (CID 66813994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).