2-(2,2-difluoroethylamino)-2-oxoacetic acid

C4H5F2NO3 — CID 75480362

IUPAC2-(2,2-difluoroethylamino)-2-oxoacetic acid
SMILESO=C(O)C(=O)NCC(F)F
InChIInChI=1S/C4H5F2NO3/c5-2(6)1-7-3(8)4(9)10/h2H,1H2,(H,7,8)(H,9,10)
InChIKeyPGEDJRFCIMNGIP-UHFFFAOYSA-N
MW153.08 g/mol
LogP-0.55
Rot. Bonds2

About 2-(2,2-difluoroethylamino)-2-oxoacetic acid

2-(2,2-difluoroethylamino)-2-oxoacetic acid (PubChem CID 75480362) has the molecular formula C4H5F2NO3 and a molecular weight of 153.08 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-2-oxoacetic acid
PubChem CID75480362
Molecular FormulaC4H5F2NO3
Molecular Weight153.08 g/mol
Exact Mass153.02
IUPAC Name2-(2,2-difluoroethylamino)-2-oxoacetic acid
SMILESO=C(O)C(=O)NCC(F)F
InChIInChI=1S/C4H5F2NO3/c5-2(6)1-7-3(8)4(9)10/h2H,1H2,(H,7,8)(H,9,10)
InChIKeyPGEDJRFCIMNGIP-UHFFFAOYSA-N
XLogP-0.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,2-difluoroethylamino)-2-oxoacetic 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

N-Oxalylglycine
CID 3080614
N-(trifluoroacetyl)aminoacetic acid
CID 136227
(Ethylcarbamoyl)formic acid
CID 12583007
Monofluoroacetylglycine
CID 95736
N-(N-(Trifluoroacetyl)glycylglycine
CID 136245
2-(3,3,3-Trifluoropropanamido)acetic acid
CID 16772835
[(2,2,2-Trifluoroethyl)carbamoyl]formic acid
CID 43444971
(2,2-Difluoroethyl)glycine
CID 60922029
Trifluoroethyleglycine
CID 87094481
[(3,4,4-Trifluoro-3-butenyl)amino]oxoacetic acid
CID 15239198
2-[(2,2,2-Trifluoroacetyl)amino]acetate
CID 17797476
2-(2,2-Difluoroacetamido)acetic acid
CID 45082063

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-2-oxoacetic acid?
The IUPAC name of 2-(2,2-difluoroethylamino)-2-oxoacetic acid (CID 75480362) is 2-(2,2-difluoroethylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(2,2-difluoroethylamino)-2-oxoacetic acid is O=C(O)C(=O)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)-2-oxoacetic acid?
The InChIKey is PGEDJRFCIMNGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO3/c5-2(6)1-7-3(8)4(9)10/h2H,1H2,(H,7,8)(H,9,10).
What are the key properties of 2-(2,2-difluoroethylamino)-2-oxoacetic acid?
2-(2,2-difluoroethylamino)-2-oxoacetic acid has a molecular weight of 153.08 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-2-oxoacetic acid is sourced from PubChem (CID 75480362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).