4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid

C17H24N2O4 — CID 119201300

IUPAC4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid
SMILESCCNC(=O)CCCC(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C17H24N2O4/c1-2-18-15(20)9-6-10-16(21)19-14(11-12-17(22)23)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyIFXZXSGVROWYQG-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.02
Rot. Bonds10

About 4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid

4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid (PubChem CID 119201300) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid
PubChem CID119201300
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid
SMILESCCNC(=O)CCCC(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C17H24N2O4/c1-2-18-15(20)9-6-10-16(21)19-14(11-12-17(22)23)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyIFXZXSGVROWYQG-UHFFFAOYSA-N
XLogP2.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid
CID 62589345
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345
4-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-phenylbutanoic acid
CID 119201409
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
4-(2,2-dimethylbutanoylamino)-4-phenylbutanoic acid
CID 62680099
4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
4-[[(2S)-2-aminohexanoyl]amino]-4-phenylbutanoic acid
CID 107144822
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201110

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid (CID 119201300) is 4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid is CCNC(=O)CCCC(=O)NC(CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid?
The InChIKey is IFXZXSGVROWYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-18-15(20)9-6-10-16(21)19-14(11-12-17(22)23)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid?
4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.02, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).