2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid

C11H10F2N2O4 — CID 107433914

IUPAC2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H10F2N2O4/c12-6-1-2-8(13)7(3-6)11(19)15(4-9(14)16)5-10(17)18/h1-3H,4-5H2,(H2,14,16)(H,17,18)
InChIKeyXMRUDEXSRPKDJQ-UHFFFAOYSA-N
MW272.21 g/mol
LogP-0.02
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid (PubChem CID 107433914) has the molecular formula C11H10F2N2O4 and a molecular weight of 272.21 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid
PubChem CID107433914
Molecular FormulaC11H10F2N2O4
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H10F2N2O4/c12-6-1-2-8(13)7(3-6)11(19)15(4-9(14)16)5-10(17)18/h1-3H,4-5H2,(H2,14,16)(H,17,18)
InChIKeyXMRUDEXSRPKDJQ-UHFFFAOYSA-N
XLogP-0.02
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
CID 63110451
N,N-bis(2-amino-2-oxoethyl)-2-bromo-4-fluorobenzamide
CID 55156067
2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid
CID 107998136
2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid
CID 107434887
2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 107794503
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
CID 60799815
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 61159892
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
CID 60732695
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
2-[(2-amino-2-oxoethyl)-(5-bromo-2-iodobenzoyl)amino]acetic acid
CID 107433911
2-[(2,4-difluorobenzoyl)-prop-2-enylamino]acetic acid
CID 79263026

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid (CID 107433914) is 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid?
The InChIKey is XMRUDEXSRPKDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O4/c12-6-1-2-8(13)7(3-6)11(19)15(4-9(14)16)5-10(17)18/h1-3H,4-5H2,(H2,14,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid has a molecular weight of 272.21 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid is sourced from PubChem (CID 107433914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).