2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid

C13H17FN2O3 — CID 62638125

IUPAC2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-9(12(17)18)16(3)13(19)15(2)8-10-6-4-5-7-11(10)14/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyIROGJLHCGJDBFQ-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.78
Rot. Bonds4

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

2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid (PubChem CID 62638125) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
PubChem CID62638125
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-9(12(17)18)16(3)13(19)15(2)8-10-6-4-5-7-11(10)14/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyIROGJLHCGJDBFQ-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-bromophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 62638488
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466993
2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
CID 63645119
(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
(2R)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010281
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid (CID 62638125) is 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)N(C)Cc1ccccc1F.
What is the InChIKey of 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid?
The InChIKey is IROGJLHCGJDBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-9(12(17)18)16(3)13(19)15(2)8-10-6-4-5-7-11(10)14/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid?
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid has a molecular weight of 268.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 62638125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).