2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid

C10H10F2N2O4 — CID 142637313

IUPAC2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid
SMILESNCC(=O)N(c1ccc(F)cc1F)C(O)C(=O)O
InChIInChI=1S/C10H10F2N2O4/c11-5-1-2-7(6(12)3-5)14(8(15)4-13)9(16)10(17)18/h1-3,9,16H,4,13H2,(H,17,18)
InChIKeyHIIJHNMYHAGIEX-UHFFFAOYSA-N
MW260.20 g/mol
LogP-0.34
Rot. Bonds4

About 2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid

2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid (PubChem CID 142637313) has the molecular formula C10H10F2N2O4 and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid
PubChem CID142637313
Molecular FormulaC10H10F2N2O4
Molecular Weight260.20 g/mol
Exact Mass260.06
IUPAC Name2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid
SMILESNCC(=O)N(c1ccc(F)cc1F)C(O)C(=O)O
InChIInChI=1S/C10H10F2N2O4/c11-5-1-2-7(6(12)3-5)14(8(15)4-13)9(16)10(17)18/h1-3,9,16H,4,13H2,(H,17,18)
InChIKeyHIIJHNMYHAGIEX-UHFFFAOYSA-N
XLogP-0.34
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid?
The IUPAC name of 2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid (CID 142637313) is 2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid?
The canonical SMILES for 2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid is NCC(=O)N(c1ccc(F)cc1F)C(O)C(=O)O.
What is the InChIKey of 2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid?
The InChIKey is HIIJHNMYHAGIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O4/c11-5-1-2-7(6(12)3-5)14(8(15)4-13)9(16)10(17)18/h1-3,9,16H,4,13H2,(H,17,18).
What are the key properties of 2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid?
2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid has a molecular weight of 260.20 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid is sourced from PubChem (CID 142637313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).