4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid

C15H20FNO3 — CID 82348044

IUPAC4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid
SMILESCC(C)(C)NC(CCC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-15(2,3)17-12(8-9-13(18)19)14(20)10-4-6-11(16)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyGZAZKSAWZWKJPT-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.63
Rot. Bonds6

About 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid

4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid (PubChem CID 82348044) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid
PubChem CID82348044
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid
SMILESCC(C)(C)NC(CCC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-15(2,3)17-12(8-9-13(18)19)14(20)10-4-6-11(16)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyGZAZKSAWZWKJPT-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoate
CID 82348065
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid
CID 82348060
(4S)-4-(tert-butylamino)-5-methoxy-5-oxopentanoic acid
CID 54041640
1,9-bis(4-fluorophenyl)-2,8-bis(methylamino)nonane-1,9-dione
CID 68636214
(4S)-4-(tert-butylamino)-5-[4-(hydroxymethyl)anilino]-5-oxopentanoic acid
CID 171058281
4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
5-(4-methylphenyl)-5-oxo-4-(propan-2-ylamino)pentanoic acid
CID 82347542
4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid
CID 141006930
5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82347772
2-[[5-carboxy-5-[(4-fluorobenzoyl)amino]pentyl]carbamoylamino]pentanedioic acid
CID 67178458
4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
CID 82347835

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid?
The IUPAC name of 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid (CID 82348044) is 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid.
What is the SMILES notation for 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid?
The canonical SMILES for 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid is CC(C)(C)NC(CCC(=O)O)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid?
The InChIKey is GZAZKSAWZWKJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(2,3)17-12(8-9-13(18)19)14(20)10-4-6-11(16)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid?
4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 82348044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).