2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid

C12H16FNO2 — CID 82238470

IUPAC2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
SMILESCCN(C)C(C)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-4-14(3)12(2,11(15)16)9-5-7-10(13)8-6-9/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyBCXMNBBHZWCADP-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.08
Rot. Bonds4

About 2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid

2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid (PubChem CID 82238470) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
PubChem CID82238470
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
SMILESCCN(C)C(C)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-4-14(3)12(2,11(15)16)9-5-7-10(13)8-6-9/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyBCXMNBBHZWCADP-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
2-(Dimethylamino)-3-phenylpropanoic acid
CID 140236
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
1-Acetyl-2-phenylpyrrolidine-2-carboxylic acid
CID 3809436
2-(Methylamino)-2-phenylacetic acid
CID 228214
(+)-N-Methyl-L-phenylglycine
CID 681675
Phenyl-pyrrolidin-1-yl-acetic acid
CID 646078
2-Phenyl-pyrrolidine-2-carboxylic acid
CID 3157294
alpha-(Acetylmethylamino)-benzeneacetic acid
CID 3861124
N,N-dimethyl-L-phenylalanine
CID 11830289
2-(Methylamino)-2-phenylacetic acid hydrochloride
CID 24190972
Methyl 2-phenyl-2-(pyrrolidin-1-yl)acetate
CID 22449911

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid (CID 82238470) is 2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid is CCN(C)C(C)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid?
The InChIKey is BCXMNBBHZWCADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-4-14(3)12(2,11(15)16)9-5-7-10(13)8-6-9/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid?
2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid has a molecular weight of 225.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 82238470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).