2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid

C12H14FNO3 — CID 122107483

IUPAC2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(F)c1C
InChIInChI=1S/C12H14FNO3/c1-3-14(7-11(15)16)12(17)9-5-4-6-10(13)8(9)2/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyCJCYEBKRLMGHRM-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.68
Rot. Bonds4

About 2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid

2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid (PubChem CID 122107483) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
PubChem CID122107483
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(F)c1C
InChIInChI=1S/C12H14FNO3/c1-3-14(7-11(15)16)12(17)9-5-4-6-10(13)8(9)2/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyCJCYEBKRLMGHRM-UHFFFAOYSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid
CID 122107124
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
2-[ethyl-(3-methyl-2-nitrobenzoyl)amino]acetic acid
CID 54901306
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
2-[ethyl-(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 54901411
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide
CID 76928775
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid (CID 122107483) is 2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1cccc(F)c1C.
What is the InChIKey of 2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid?
The InChIKey is CJCYEBKRLMGHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-3-14(7-11(15)16)12(17)9-5-4-6-10(13)8(9)2/h4-6H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid?
2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid has a molecular weight of 239.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 122107483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).