4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid

C21H25NO3 — CID 119204427

IUPAC4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-21(2,14-13-20(24)25)22-19(23)15-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyMRJZDEDRHCTRND-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.97
Rot. Bonds8

About 4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid

4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid (PubChem CID 119204427) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid
PubChem CID119204427
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-21(2,14-13-20(24)25)22-19(23)15-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyMRJZDEDRHCTRND-UHFFFAOYSA-N
XLogP3.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-4-(3-phenylpent-4-enoylamino)pentanoic acid
CID 120519395
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid
CID 119204659
4-methyl-4-(4-phenoxybutanoylamino)pentanoic acid
CID 62041775
4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119204666
4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
CID 119204238
N-methyl-3,3-diphenylpropanamide
CID 3373592
4-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]-4-methylpentanoic acid
CID 119357780
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid
CID 119203692
4-methyl-4-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 62043511
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119523136

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid (CID 119204427) is 4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid?
The InChIKey is MRJZDEDRHCTRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(2,14-13-20(24)25)22-19(23)15-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid?
4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid has a molecular weight of 339.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 119204427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).