2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid

C13H17FN2O4 — CID 79463147

IUPAC2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid
SMILESCN(Cc1ccccc1F)C(=O)NCCOCC(=O)O
InChIInChI=1S/C13H17FN2O4/c1-16(8-10-4-2-3-5-11(10)14)13(19)15-6-7-20-9-12(17)18/h2-5H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyAJYRLBWQFMUTBX-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.07
Rot. Bonds7

About 2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid

2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid (PubChem CID 79463147) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid
PubChem CID79463147
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid
SMILESCN(Cc1ccccc1F)C(=O)NCCOCC(=O)O
InChIInChI=1S/C13H17FN2O4/c1-16(8-10-4-2-3-5-11(10)14)13(19)15-6-7-20-9-12(17)18/h2-5H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyAJYRLBWQFMUTBX-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001414
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
CID 79464321
5-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61412281
3-[[(5-bromo-2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 122019134
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
(2R)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010281
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid (CID 79463147) is 2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid is CN(Cc1ccccc1F)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid?
The InChIKey is AJYRLBWQFMUTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-16(8-10-4-2-3-5-11(10)14)13(19)15-6-7-20-9-12(17)18/h2-5H,6-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid?
2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid has a molecular weight of 284.29 g/mol, XLogP of 1.07, 7 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-methylcarbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).