2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid

C12H25NO2 — CID 61438417

IUPAC2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid
SMILESCCC(CC)CN(CC)C(C)(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-6-10(7-2)9-13(8-3)12(4,5)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyHZSXYMDCQRFEBI-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.61
Rot. Bonds7

About 2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid

2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid (PubChem CID 61438417) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid
PubChem CID61438417
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid
SMILESCCC(CC)CN(CC)C(C)(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-6-10(7-2)9-13(8-3)12(4,5)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyHZSXYMDCQRFEBI-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820146
2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
CID 63652155
2-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
CID 79355288
2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
CID 157400668
N-ethyl-N-(2-ethylbutyl)-2,2-dimethylpropanamide
CID 62735136
2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
CID 62821128
2-[ethyl(2-methylpentan-3-yl)amino]-2-methylpropanoic acid
CID 65061521
3-(diethylamino)-2,2,3-trimethylbutanoic acid
CID 79695117
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid
CID 22683291
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
CID 62820426

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid (CID 61438417) is 2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid is CCC(CC)CN(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid?
The InChIKey is HZSXYMDCQRFEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-10(7-2)9-13(8-3)12(4,5)11(14)15/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid?
2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61438417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).