2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid

C12H12F2N2O5 — CID 107434577

IUPAC2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H12F2N2O5/c13-12(14)21-8-3-1-7(2-4-8)11(20)16(5-9(15)17)6-10(18)19/h1-4,12H,5-6H2,(H2,15,17)(H,18,19)
InChIKeyXPVDAIAGZYFNGB-UHFFFAOYSA-N
MW302.23 g/mol
LogP0.30
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid (PubChem CID 107434577) has the molecular formula C12H12F2N2O5 and a molecular weight of 302.23 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid
PubChem CID107434577
Molecular FormulaC12H12F2N2O5
Molecular Weight302.23 g/mol
Exact Mass302.07
IUPAC Name2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H12F2N2O5/c13-12(14)21-8-3-1-7(2-4-8)11(20)16(5-9(15)17)6-10(18)19/h1-4,12H,5-6H2,(H2,15,17)(H,18,19)
InChIKeyXPVDAIAGZYFNGB-UHFFFAOYSA-N
XLogP0.30
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
CID 60653738
2-[(2-amino-2-oxoethyl)-(4-methylsulfonylbenzoyl)amino]acetic acid
CID 107434144
2-[(2-amino-2-oxoethyl)-(4-nitrobenzoyl)amino]acetic acid
CID 107433891
2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid
CID 107998136
2-[carboxymethyl-[[4-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 65065686
2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107434520
4-(difluoromethoxy)-N-ethyl-N-phenylbenzamide
CID 78793978
2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid
CID 107433913
4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 115673441
2-[[1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carbonyl]-propylamino]acetic acid
CID 119205070
2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189503
methyl 3-[[4-(difluoromethoxy)benzoyl]-methylamino]propanoate
CID 61032347

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid (CID 107434577) is 2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid?
The InChIKey is XPVDAIAGZYFNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O5/c13-12(14)21-8-3-1-7(2-4-8)11(20)16(5-9(15)17)6-10(18)19/h1-4,12H,5-6H2,(H2,15,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid has a molecular weight of 302.23 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid is sourced from PubChem (CID 107434577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).