2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid

C11H12FNO3 — CID 122107124

IUPAC2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid
SMILESCc1c(F)cccc1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H12FNO3/c1-7-8(4-3-5-9(7)12)11(16)13(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyKJWFMUFHCDVOQD-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.29
Rot. Bonds3

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

2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid (PubChem CID 122107124) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid
PubChem CID122107124
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid
SMILESCc1c(F)cccc1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H12FNO3/c1-7-8(4-3-5-9(7)12)11(16)13(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyKJWFMUFHCDVOQD-UHFFFAOYSA-N
XLogP1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
CID 122107483
3-[(3-fluoro-2-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122107756
2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241826
2-[(3-fluoro-2-methylbenzoyl)-methylamino]propanoic acid
CID 122107523
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
2-[[2-(difluoromethylsulfanyl)benzoyl]-methylamino]acetic acid
CID 43239805
2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110835783
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
CID 80718993
2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid
CID 104614064
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid (CID 122107124) is 2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid is Cc1c(F)cccc1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid?
The InChIKey is KJWFMUFHCDVOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7-8(4-3-5-9(7)12)11(16)13(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid?
2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid has a molecular weight of 225.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 122107124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).