2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid

C13H15FN2O5 — CID 63645252

IUPAC2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCCc1ccccc1F
InChIInChI=1S/C13H15FN2O5/c14-10-4-2-1-3-9(10)5-6-15-13(21)16(7-11(17)18)8-12(19)20/h1-4H,5-8H2,(H,15,21)(H,17,18)(H,19,20)
InChIKeyKVTRIQUZCGXSSW-UHFFFAOYSA-N
MW298.27 g/mol
LogP0.55
Rot. Bonds7

About 2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid

2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid (PubChem CID 63645252) has the molecular formula C13H15FN2O5 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
PubChem CID63645252
Molecular FormulaC13H15FN2O5
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCCc1ccccc1F
InChIInChI=1S/C13H15FN2O5/c14-10-4-2-1-3-9(10)5-6-15-13(21)16(7-11(17)18)8-12(19)20/h1-4H,5-8H2,(H,15,21)(H,17,18)(H,19,20)
InChIKeyKVTRIQUZCGXSSW-UHFFFAOYSA-N
XLogP0.55
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 79263728
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
CID 108900086
3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
CID 62827671
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811
5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 28931622

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid (CID 63645252) is 2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NCCc1ccccc1F.
What is the InChIKey of 2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is KVTRIQUZCGXSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5/c14-10-4-2-1-3-9(10)5-6-15-13(21)16(7-11(17)18)8-12(19)20/h1-4H,5-8H2,(H,15,21)(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 298.27 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 63645252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).