2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid

C16H25NO2 — CID 65061373

IUPAC2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)CCc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-5-17(16(3,4)15(18)19)13(2)11-12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,18,19)
InChIKeyNMYVYAJFSSJXCL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.19
Rot. Bonds7

About 2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid

2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid (PubChem CID 65061373) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid
PubChem CID65061373
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)CCc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-5-17(16(3,4)15(18)19)13(2)11-12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,18,19)
InChIKeyNMYVYAJFSSJXCL-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-5-phenylpentanoic acid
CID 66734335
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one
CID 67129592
2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide
CID 123171697
2-[ethyl(1-thiophen-3-ylethyl)amino]-2-methylpropanoic acid
CID 65061477
2-methyl-4-phenylbutanoic acid
CID 66896591
2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 134570025
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid
CID 114992783
3-methylpentan-3-yl (2S)-2-amino-4-phenylbutanoate
CID 67623648
2-chloro-N,N-diethyl-4-phenylbutanamide
CID 62880249
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid (CID 65061373) is 2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid is CCN(C(C)CCc1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is NMYVYAJFSSJXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-17(16(3,4)15(18)19)13(2)11-12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,18,19).
What are the key properties of 2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid?
2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65061373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).