4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid

C19H28N2O5 — CID 119204666

IUPAC4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid
SMILESCCOc1ccccc1C(CC(=O)NC(C)(C)CCC(=O)O)NC(C)=O
InChIInChI=1S/C19H28N2O5/c1-5-26-16-9-7-6-8-14(16)15(20-13(2)22)12-17(23)21-19(3,4)11-10-18(24)25/h6-9,15H,5,10-12H2,1-4H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyGBPRZWUMCCHLMT-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.41
Rot. Bonds10

About 4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid

4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid (PubChem CID 119204666) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid
PubChem CID119204666
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid
SMILESCCOc1ccccc1C(CC(=O)NC(C)(C)CCC(=O)O)NC(C)=O
InChIInChI=1S/C19H28N2O5/c1-5-26-16-9-7-6-8-14(16)15(20-13(2)22)12-17(23)21-19(3,4)11-10-18(24)25/h6-9,15H,5,10-12H2,1-4H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyGBPRZWUMCCHLMT-UHFFFAOYSA-N
XLogP2.41
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 119250389
3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
CID 119627423
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2-methylpropanoic acid
CID 119237711
N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
CID 95282390
3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120830987
4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid
CID 119204427
3-acetamido-3-[2-(trifluoromethoxy)phenyl]propanoic acid
CID 63651895
3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119654044
3-acetamido-N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119582642
3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
CID 119566114
N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-(2-ethoxyphenyl)-3-oxopropyl]acetamide;hydrochloride
CID 120659450
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide
CID 119456660

Frequently Asked Questions

What is the IUPAC name of 4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid (CID 119204666) is 4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid is CCOc1ccccc1C(CC(=O)NC(C)(C)CCC(=O)O)NC(C)=O.
What is the InChIKey of 4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid?
The InChIKey is GBPRZWUMCCHLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-5-26-16-9-7-6-8-14(16)15(20-13(2)22)12-17(23)21-19(3,4)11-10-18(24)25/h6-9,15H,5,10-12H2,1-4H3,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid?
4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid has a molecular weight of 364.44 g/mol, XLogP of 2.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119204666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).