4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid

C18H19NO5 — CID 70162154

IUPAC4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=C(O)C(O)C(O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19NO5/c20-15(16(21)18(23)24)17(22)19(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15-16,20-21H,11-12H2,(H,23,24)
InChIKeyQHERASGNOTZQLN-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.02
Rot. Bonds7

About 4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid

4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid (PubChem CID 70162154) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid
PubChem CID70162154
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=C(O)C(O)C(O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19NO5/c20-15(16(21)18(23)24)17(22)19(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15-16,20-21H,11-12H2,(H,23,24)
InChIKeyQHERASGNOTZQLN-UHFFFAOYSA-N
XLogP1.02
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid?
The IUPAC name of 4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid (CID 70162154) is 4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid is O=C(O)C(O)C(O)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid?
The InChIKey is QHERASGNOTZQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c20-15(16(21)18(23)24)17(22)19(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15-16,20-21H,11-12H2,(H,23,24).
What are the key properties of 4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid?
4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid has a molecular weight of 329.35 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-2,3-dihydroxy-4-oxobutanoic acid is sourced from PubChem (CID 70162154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).