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

C16H25NO2 — CID 61436697

IUPAC2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
SMILESCCC(CC)CN(CC)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-13(5-2)12-17(6-3)15(16(18)19)14-10-8-7-9-11-14/h7-11,13,15H,4-6,12H2,1-3H3,(H,18,19)
InChIKeyYKCBMOYWNYXSPM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.57
Rot. Bonds8

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

2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid (PubChem CID 61436697) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
PubChem CID61436697
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
SMILESCCC(CC)CN(CC)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-13(5-2)12-17(6-3)15(16(18)19)14-10-8-7-9-11-14/h7-11,13,15H,4-6,12H2,1-3H3,(H,18,19)
InChIKeyYKCBMOYWNYXSPM-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
3-[ethyl(2-ethylbutyl)amino]-3-phenylpropanoic acid
CID 63074344
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
CID 63467588
4-ethyl-2-phenylhexanoic acid
CID 81009184
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
CID 119359290
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid (CID 61436697) is 2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid is CCC(CC)CN(CC)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid?
The InChIKey is YKCBMOYWNYXSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-13(5-2)12-17(6-3)15(16(18)19)14-10-8-7-9-11-14/h7-11,13,15H,4-6,12H2,1-3H3,(H,18,19).
What are the key properties of 2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid?
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid has a molecular weight of 263.38 g/mol, XLogP of 3.57, 8 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-phenylacetic acid is sourced from PubChem (CID 61436697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).