2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

C15H21FN2O3 — CID 63064165

IUPAC2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCc1ccc(F)cc1NC(=O)CN(CC(=O)O)CC(C)C
InChIInChI=1S/C15H21FN2O3/c1-10(2)7-18(9-15(20)21)8-14(19)17-13-6-12(16)5-4-11(13)3/h4-6,10H,7-9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyAMCCYAAHNAJHRP-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.12
Rot. Bonds7

About 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63064165) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63064165
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCc1ccc(F)cc1NC(=O)CN(CC(=O)O)CC(C)C
InChIInChI=1S/C15H21FN2O3/c1-10(2)7-18(9-15(20)21)8-14(19)17-13-6-12(16)5-4-11(13)3/h4-6,10H,7-9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyAMCCYAAHNAJHRP-UHFFFAOYSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835213
2-[carboxymethyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]acetic acid
CID 12552996
N-(5-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60693543
2-[butyl(2-hydroxyethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 60689165
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
2-[ethyl-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 18085874
2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18191770
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841
2-[(2-chloro-4-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065952
(2S)-2-[(5-fluoro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61191548
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (CID 63064165) is 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is Cc1ccc(F)cc1NC(=O)CN(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is AMCCYAAHNAJHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(2)7-18(9-15(20)21)8-14(19)17-13-6-12(16)5-4-11(13)3/h4-6,10H,7-9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 296.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).