5-amino-2,2-dibenzylpentanoic acid

C19H23NO2 — CID 175429444

IUPAC5-amino-2,2-dibenzylpentanoic acid
SMILESNCCCC(Cc1ccccc1)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO2/c20-13-7-12-19(18(21)22,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15,20H2,(H,21,22)
InChIKeyGURYNIMLDOWASC-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.28
Rot. Bonds8

About 5-amino-2,2-dibenzylpentanoic acid

5-amino-2,2-dibenzylpentanoic acid (PubChem CID 175429444) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-amino-2,2-dibenzylpentanoic acid.

Molecular Properties

Compound Name5-amino-2,2-dibenzylpentanoic acid
PubChem CID175429444
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name5-amino-2,2-dibenzylpentanoic acid
SMILESNCCCC(Cc1ccccc1)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO2/c20-13-7-12-19(18(21)22,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15,20H2,(H,21,22)
InChIKeyGURYNIMLDOWASC-UHFFFAOYSA-N
XLogP3.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dibenzyltetradecanoic acid
CID 174897332
2,2-dibenzylnonanedioic acid
CID 54417441
(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
2-(aminomethyl)-2-benzyl-3-cyclopropylpropanoic acid
CID 106490095
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
butyl 2-benzyl-2-butylhexanoate
CID 57035745
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
3-benzyl-3-decyltridecan-2-one
CID 21201320
(2S)-2,5-diamino-2-phenylpentanoic acid
CID 7141907
2-benzyl-2-decyl-4-methylhexadecanoic acid
CID 170305051
(2R)-2-amino-2-chloro-3-phenylpropanoic acid
CID 21116120

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2-dibenzylpentanoic acid?
The IUPAC name of 5-amino-2,2-dibenzylpentanoic acid (CID 175429444) is 5-amino-2,2-dibenzylpentanoic acid.
What is the SMILES notation for 5-amino-2,2-dibenzylpentanoic acid?
The canonical SMILES for 5-amino-2,2-dibenzylpentanoic acid is NCCCC(Cc1ccccc1)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 5-amino-2,2-dibenzylpentanoic acid?
The InChIKey is GURYNIMLDOWASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c20-13-7-12-19(18(21)22,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15,20H2,(H,21,22).
What are the key properties of 5-amino-2,2-dibenzylpentanoic acid?
5-amino-2,2-dibenzylpentanoic acid has a molecular weight of 297.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2-dibenzylpentanoic acid is sourced from PubChem (CID 175429444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).