2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid

C15H23NO2 — CID 43754189

IUPAC2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid
SMILESCCc1ccc(C(CC)(NC(C)C)C(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-5-12-7-9-13(10-8-12)15(6-2,14(17)18)16-11(3)4/h7-11,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyHZSYIMIOTWBPAD-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.94
Rot. Bonds6

About 2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid

2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid (PubChem CID 43754189) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid
PubChem CID43754189
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid
SMILESCCc1ccc(C(CC)(NC(C)C)C(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-5-12-7-9-13(10-8-12)15(6-2,14(17)18)16-11(3)4/h7-11,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyHZSYIMIOTWBPAD-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]butanoic acid
CID 155969124
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide
CID 60787687
2-(4-methylphenyl)-2-(2-methylpropylamino)butanoic acid
CID 54894807
2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid
CID 61002875
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700
2-(cyclopentylamino)-2-(4-ethylphenyl)butanamide
CID 60997547
2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid
CID 114992341
1,3-bis[3-(4-ethylphenyl)pentan-3-yl]urea
CID 15589244
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
(2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide
CID 119337733
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid (CID 43754189) is 2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid is CCc1ccc(C(CC)(NC(C)C)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid?
The InChIKey is HZSYIMIOTWBPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12-7-9-13(10-8-12)15(6-2,14(17)18)16-11(3)4/h7-11,16H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid?
2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 43754189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).