(2R)-2-(dibenzylamino)propanoic acid

C17H19NO2 — CID 10754456

IUPAC(2R)-2-(dibenzylamino)propanoic acid
SMILESC[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2/c1-14(17(19)20)18(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyLEANCXGFUTZVNL-CQSZACIVSA-N
MW269.34 g/mol
LogP3.16
Rot. Bonds6

About (2R)-2-(dibenzylamino)propanoic acid

(2R)-2-(dibenzylamino)propanoic acid (PubChem CID 10754456) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R)-2-(dibenzylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(dibenzylamino)propanoic acid
PubChem CID10754456
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2R)-2-(dibenzylamino)propanoic acid
SMILESC[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2/c1-14(17(19)20)18(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyLEANCXGFUTZVNL-CQSZACIVSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
(2S)-2-[benzyl(2-chloroethyl)amino]propanoic acid
CID 54043437
2-[benzyl(prop-2-enyl)amino]propanoic acid
CID 119134454
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
N-benzyl-N-propan-2-ylacetamide
CID 23534449
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218
(4S)-4-(dibenzylamino)-5-methylhexan-3-one
CID 14934525

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dibenzylamino)propanoic acid?
The IUPAC name of (2R)-2-(dibenzylamino)propanoic acid (CID 10754456) is (2R)-2-(dibenzylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(dibenzylamino)propanoic acid?
The canonical SMILES for (2R)-2-(dibenzylamino)propanoic acid is C[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-(dibenzylamino)propanoic acid?
The InChIKey is LEANCXGFUTZVNL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO2/c1-14(17(19)20)18(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(dibenzylamino)propanoic acid?
(2R)-2-(dibenzylamino)propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dibenzylamino)propanoic acid is sourced from PubChem (CID 10754456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).