4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid

C20H23NO4 — CID 167797466

IUPAC4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid
SMILESO=C(O)CC(CO)C(=O)NC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO4/c22-14-17(13-19(23)24)20(25)21-18(16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10,17-18,22H,11-14H2,(H,21,25)(H,23,24)
InChIKeyAZUALFFEPGREMW-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.56
Rot. Bonds9

About 4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid

4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid (PubChem CID 167797466) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid
PubChem CID167797466
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid
SMILESO=C(O)CC(CO)C(=O)NC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO4/c22-14-17(13-19(23)24)20(25)21-18(16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10,17-18,22H,11-14H2,(H,21,25)(H,23,24)
InChIKeyAZUALFFEPGREMW-UHFFFAOYSA-N
XLogP2.56
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
2-hydroxy-N-(2-hydroxy-1-phenylethyl)-5-phenylpentanamide
CID 129208132
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
(2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-5-phenylpentanamide
CID 90025591
(3R)-3,5-diphenylpentanoic acid
CID 821797
(2S)-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 124707867
(2R)-2-benzyl-3-[(2R)-2-benzyl-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-oxopropyl]sulfinyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 70687323
(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
CID 18652850
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674093
N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide
CID 112837699
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenylpropanamide
CID 107863190

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid?
The IUPAC name of 4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid (CID 167797466) is 4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid?
The canonical SMILES for 4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid is O=C(O)CC(CO)C(=O)NC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid?
The InChIKey is AZUALFFEPGREMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-14-17(13-19(23)24)20(25)21-18(16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10,17-18,22H,11-14H2,(H,21,25)(H,23,24).
What are the key properties of 4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid?
4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid is sourced from PubChem (CID 167797466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).