2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid

C14H19FN2O3 — CID 62821658

IUPAC2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCN(Cc1ccc(F)cc1)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-14(2,12(18)19)17(4)13(20)16(3)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyMIOJZGRFIIFBKL-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.17
Rot. Bonds4

About 2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid

2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62821658) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID62821658
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCN(Cc1ccc(F)cc1)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-14(2,12(18)19)17(4)13(20)16(3)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyMIOJZGRFIIFBKL-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid (CID 62821658) is 2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid is CN(Cc1ccc(F)cc1)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is MIOJZGRFIIFBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,12(18)19)17(4)13(20)16(3)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3,(H,18,19).
What are the key properties of 2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62821658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).