(2S)-2-(dibenzylamino)-3-hydroxypropanoic acid

C17H19NO3 — CID 11055238

IUPAC(2S)-2-(dibenzylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO3/c19-13-16(17(20)21)18(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,20,21)/t16-/m0/s1
InChIKeyIAVOOHAFSZKXIS-INIZCTEOSA-N
MW285.34 g/mol
LogP2.13
Rot. Bonds7

About (2S)-2-(dibenzylamino)-3-hydroxypropanoic acid

(2S)-2-(dibenzylamino)-3-hydroxypropanoic acid (PubChem CID 11055238) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-3-hydroxypropanoic acid
PubChem CID11055238
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2S)-2-(dibenzylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO3/c19-13-16(17(20)21)18(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,20,21)/t16-/m0/s1
InChIKeyIAVOOHAFSZKXIS-INIZCTEOSA-N
XLogP2.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(dibenzylamino)-3-hydroxypropanoic acid (CID 11055238) is (2S)-2-(dibenzylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(dibenzylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(dibenzylamino)-3-hydroxypropanoic acid is O=C(O)[C@H](CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-3-hydroxypropanoic acid?
The InChIKey is IAVOOHAFSZKXIS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO3/c19-13-16(17(20)21)18(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)-3-hydroxypropanoic acid?
(2S)-2-(dibenzylamino)-3-hydroxypropanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 11055238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).