4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid

C16H23NO3 — CID 82347835

IUPAC4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
SMILESCCNC(CCC(=O)O)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-4-17-14(9-10-15(18)19)16(20)13-7-5-12(6-8-13)11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyIQUNXIIXOALQPT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.84
Rot. Bonds8

About 4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid

4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid (PubChem CID 82347835) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
PubChem CID82347835
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
SMILESCCNC(CCC(=O)O)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-4-17-14(9-10-15(18)19)16(20)13-7-5-12(6-8-13)11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyIQUNXIIXOALQPT-UHFFFAOYSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid
CID 82349311
5-(4-butan-2-ylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82349312
4-oxo-4-(4-propan-2-ylphenyl)-3-(propylamino)butanoic acid
CID 82322366
4-(4-butan-2-ylphenyl)-3-(ethylamino)-4-oxobutanoic acid
CID 82322816
3-(methylamino)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 82322375
3-(butylamino)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 82322368
5-(4-methylphenyl)-5-oxo-4-(propan-2-ylamino)pentanoic acid
CID 82347542
5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82347772
3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid
CID 82348090
5-(3,4-dichlorophenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82349254
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride
CID 169436410

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid?
The IUPAC name of 4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid (CID 82347835) is 4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid.
What is the SMILES notation for 4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid?
The canonical SMILES for 4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid is CCNC(CCC(=O)O)C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid?
The InChIKey is IQUNXIIXOALQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-17-14(9-10-15(18)19)16(20)13-7-5-12(6-8-13)11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid?
4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid is sourced from PubChem (CID 82347835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).