2-(4-ethylanilino)pentanoic acid

C13H19NO2 — CID 83038138

IUPAC2-(4-ethylanilino)pentanoic acid
SMILESCCCC(Nc1ccc(CC)cc1)C(=O)O
InChIInChI=1S/C13H19NO2/c1-3-5-12(13(15)16)14-11-8-6-10(4-2)7-9-11/h6-9,12,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyLBRYAUNGXUJCQJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.91
Rot. Bonds6

About 2-(4-ethylanilino)pentanoic acid

2-(4-ethylanilino)pentanoic acid (PubChem CID 83038138) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-ethylanilino)pentanoic acid.

Molecular Properties

Compound Name2-(4-ethylanilino)pentanoic acid
PubChem CID83038138
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(4-ethylanilino)pentanoic acid
SMILESCCCC(Nc1ccc(CC)cc1)C(=O)O
InChIInChI=1S/C13H19NO2/c1-3-5-12(13(15)16)14-11-8-6-10(4-2)7-9-11/h6-9,12,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyLBRYAUNGXUJCQJ-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-anilinopentanoic acid
CID 22847649
(2S)-2-(4-bromoanilino)pentanoic acid
CID 40788491
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
(2S)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174375050
(2S)-2-(3,5-dimethylanilino)pentanoic acid
CID 40788515
2-(4-methylanilino)heptanoic acid
CID 54889807
2-(4-methylanilino)nonanoic acid
CID 63524441
(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
2-(4-methylsulfanylanilino)hexanoic acid
CID 103232532
2-(3-bromo-4-fluoroanilino)pentanoic acid
CID 104777722
4-(1-carboxypentadecylamino)benzoic acid
CID 57200267
2-(4-bromoanilino)octanoic acid
CID 55223557

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)pentanoic acid?
The IUPAC name of 2-(4-ethylanilino)pentanoic acid (CID 83038138) is 2-(4-ethylanilino)pentanoic acid.
What is the SMILES notation for 2-(4-ethylanilino)pentanoic acid?
The canonical SMILES for 2-(4-ethylanilino)pentanoic acid is CCCC(Nc1ccc(CC)cc1)C(=O)O.
What is the InChIKey of 2-(4-ethylanilino)pentanoic acid?
The InChIKey is LBRYAUNGXUJCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-5-12(13(15)16)14-11-8-6-10(4-2)7-9-11/h6-9,12,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-ethylanilino)pentanoic acid?
2-(4-ethylanilino)pentanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)pentanoic acid is sourced from PubChem (CID 83038138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).