2-(2-ethylanilino)-2-methylpentanoic acid

C14H21NO2 — CID 114992150

IUPAC2-(2-ethylanilino)-2-methylpentanoic acid
SMILESCCCC(C)(Nc1ccccc1CC)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-10-14(3,13(16)17)15-12-9-7-6-8-11(12)5-2/h6-9,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyCQVWQCAWFXQRTC-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.30
Rot. Bonds6

About 2-(2-ethylanilino)-2-methylpentanoic acid

2-(2-ethylanilino)-2-methylpentanoic acid (PubChem CID 114992150) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-ethylanilino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-ethylanilino)-2-methylpentanoic acid
PubChem CID114992150
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2-ethylanilino)-2-methylpentanoic acid
SMILESCCCC(C)(Nc1ccccc1CC)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-10-14(3,13(16)17)15-12-9-7-6-8-11(12)5-2/h6-9,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyCQVWQCAWFXQRTC-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61189710
2-anilino-2-methylpentanoic acid
CID 60992039
2-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 79512716
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535
2-[2-(tert-butylamino)phenyl]acetic acid
CID 22714206
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
2-methyl-2-(2-methylsulfonylanilino)butanoic acid
CID 79798877
4-(2-ethylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297764
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232
2-(1,2-benzoxazol-3-ylamino)-2-methylpentanoic acid
CID 114265510

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-2-methylpentanoic acid?
The IUPAC name of 2-(2-ethylanilino)-2-methylpentanoic acid (CID 114992150) is 2-(2-ethylanilino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2-ethylanilino)-2-methylpentanoic acid?
The canonical SMILES for 2-(2-ethylanilino)-2-methylpentanoic acid is CCCC(C)(Nc1ccccc1CC)C(=O)O.
What is the InChIKey of 2-(2-ethylanilino)-2-methylpentanoic acid?
The InChIKey is CQVWQCAWFXQRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-14(3,13(16)17)15-12-9-7-6-8-11(12)5-2/h6-9,15H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-ethylanilino)-2-methylpentanoic acid?
2-(2-ethylanilino)-2-methylpentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-2-methylpentanoic acid is sourced from PubChem (CID 114992150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).