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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Related Compounds

2-[(4-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62820214
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79276361
1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
CID 60650439
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
2-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethylbutanamide
CID 114291206
(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182311
N-[2-[[N-[(4-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111307634
(1R,2R,3R,4R)-3,4-bis[[4-(4-fluorophenoxy)phenyl]methyl-methylcarbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 18663920
3-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911834

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).