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

C13H15FN2O5 — CID 63645119

IUPAC2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
SMILESCN(Cc1ccccc1F)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H15FN2O5/c1-15(6-9-4-2-3-5-10(9)14)13(21)16(7-11(17)18)8-12(19)20/h2-5H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyYVDCRNZFYIDTMO-UHFFFAOYSA-N
MW298.27 g/mol
LogP0.85
Rot. Bonds6

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

2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid (PubChem CID 63645119) has the molecular formula C13H15FN2O5 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
PubChem CID63645119
Molecular FormulaC13H15FN2O5
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
SMILESCN(Cc1ccccc1F)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H15FN2O5/c1-15(6-9-4-2-3-5-10(9)14)13(21)16(7-11(17)18)8-12(19)20/h2-5H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyYVDCRNZFYIDTMO-UHFFFAOYSA-N
XLogP0.85
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 62638125
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065968
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
(Z)-4-[(2-fluorophenyl)methyl-methylamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689315
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
2-[[(2-chlorophenyl)methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79276787
3-[(2-fluorophenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042443
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid (CID 63645119) is 2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid is CN(Cc1ccccc1F)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid?
The InChIKey is YVDCRNZFYIDTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5/c1-15(6-9-4-2-3-5-10(9)14)13(21)16(7-11(17)18)8-12(19)20/h2-5H,6-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid has a molecular weight of 298.27 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-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 63645119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).