methyl 3-(dibenzylamino)-4-hydroxybutanoate

C19H23NO3 — CID 14843192

IUPACmethyl 3-(dibenzylamino)-4-hydroxybutanoate
SMILESCOC(=O)CC(CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO3/c1-23-19(22)12-18(15-21)20(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,18,21H,12-15H2,1H3
InChIKeyFINHMQYKQOZUEZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.61
Rot. Bonds8

About methyl 3-(dibenzylamino)-4-hydroxybutanoate

methyl 3-(dibenzylamino)-4-hydroxybutanoate (PubChem CID 14843192) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is methyl 3-(dibenzylamino)-4-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 3-(dibenzylamino)-4-hydroxybutanoate
PubChem CID14843192
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namemethyl 3-(dibenzylamino)-4-hydroxybutanoate
SMILESCOC(=O)CC(CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO3/c1-23-19(22)12-18(15-21)20(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,18,21H,12-15H2,1H3
InChIKeyFINHMQYKQOZUEZ-UHFFFAOYSA-N
XLogP2.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dibenzylamino)-4-hydroxybutanoate?
The IUPAC name of methyl 3-(dibenzylamino)-4-hydroxybutanoate (CID 14843192) is methyl 3-(dibenzylamino)-4-hydroxybutanoate.
What is the SMILES notation for methyl 3-(dibenzylamino)-4-hydroxybutanoate?
The canonical SMILES for methyl 3-(dibenzylamino)-4-hydroxybutanoate is COC(=O)CC(CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 3-(dibenzylamino)-4-hydroxybutanoate?
The InChIKey is FINHMQYKQOZUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-23-19(22)12-18(15-21)20(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,18,21H,12-15H2,1H3.
What are the key properties of methyl 3-(dibenzylamino)-4-hydroxybutanoate?
methyl 3-(dibenzylamino)-4-hydroxybutanoate has a molecular weight of 313.40 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dibenzylamino)-4-hydroxybutanoate is sourced from PubChem (CID 14843192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).