3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid

C16H25NO2 — CID 65061408

IUPAC3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(c1ccccc1)C(C)C
InChIInChI=1S/C16H25NO2/c1-5-17(11-13(4)16(18)19)15(12(2)3)14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,18,19)
InChIKeyLMVKBARUWQZFNP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.43
Rot. Bonds7

About 3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid

3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid (PubChem CID 65061408) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid
PubChem CID65061408
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(c1ccccc1)C(C)C
InChIInChI=1S/C16H25NO2/c1-5-17(11-13(4)16(18)19)15(12(2)3)14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,18,19)
InChIKeyLMVKBARUWQZFNP-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-(3-methyl-1-phenylbutyl)amino]-2-methylpropanoic acid
CID 65061851
3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid
CID 65060873
2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82329010
3-[ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]-2-methylpropanoic acid
CID 65060726
3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid
CID 65060972
3-[butan-2-yl(1-phenylethyl)amino]-2-methylpropanoic acid
CID 82328455
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid
CID 62854117
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid (CID 65061408) is 3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(c1ccccc1)C(C)C.
What is the InChIKey of 3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid?
The InChIKey is LMVKBARUWQZFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-17(11-13(4)16(18)19)15(12(2)3)14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,18,19).
What are the key properties of 3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid?
3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65061408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).