2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid

C13H17FN2O3 — CID 43466993

IUPAC2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)N(C)Cc1ccccc1F)C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-9(13(18)19)15-7-12(17)16(2)8-10-5-3-4-6-11(10)14/h3-6,9,15H,7-8H2,1-2H3,(H,18,19)
InChIKeyUQUDCZPSVCESDF-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.85
Rot. Bonds6

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

2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466993) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466993
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)N(C)Cc1ccccc1F)C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-9(13(18)19)15-7-12(17)16(2)8-10-5-3-4-6-11(10)14/h3-6,9,15H,7-8H2,1-2H3,(H,18,19)
InChIKeyUQUDCZPSVCESDF-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 62638125
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
(2R)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010281
2-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353729
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide
CID 110881852
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 81070310
2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 78769021
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133
(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83194252

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid (CID 43466993) is 2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid is CC(NCC(=O)N(C)Cc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is UQUDCZPSVCESDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-9(13(18)19)15-7-12(17)16(2)8-10-5-3-4-6-11(10)14/h3-6,9,15H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid?
2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 268.29 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).