2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid

C12H15FN2O3 — CID 43318561

IUPAC2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C12H15FN2O3/c1-14(12(18)15(2)8-11(16)17)7-9-4-3-5-10(13)6-9/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyFIPMXUUBRPCGEU-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.39
Rot. Bonds4

About 2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid

2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid (PubChem CID 43318561) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid
PubChem CID43318561
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C12H15FN2O3/c1-14(12(18)15(2)8-11(16)17)7-9-4-3-5-10(13)6-9/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyFIPMXUUBRPCGEU-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid (CID 43318561) is 2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid?
The InChIKey is FIPMXUUBRPCGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-14(12(18)15(2)8-11(16)17)7-9-4-3-5-10(13)6-9/h3-6H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid?
2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid has a molecular weight of 254.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 43318561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).