2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid

C10H15F2NO4 — CID 103205868

IUPAC2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCOCC(F)F)C1CC1
InChIInChI=1S/C10H15F2NO4/c11-8(12)6-17-4-3-9(14)13(5-10(15)16)7-1-2-7/h7-8H,1-6H2,(H,15,16)
InChIKeyGGINQAXNCYKNJH-UHFFFAOYSA-N
MW251.23 g/mol
LogP0.73
Rot. Bonds8

About 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid

2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid (PubChem CID 103205868) has the molecular formula C10H15F2NO4 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid
PubChem CID103205868
Molecular FormulaC10H15F2NO4
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCOCC(F)F)C1CC1
InChIInChI=1S/C10H15F2NO4/c11-8(12)6-17-4-3-9(14)13(5-10(15)16)7-1-2-7/h7-8H,1-6H2,(H,15,16)
InChIKeyGGINQAXNCYKNJH-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid (CID 103205868) is 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid is O=C(O)CN(C(=O)CCOCC(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid?
The InChIKey is GGINQAXNCYKNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO4/c11-8(12)6-17-4-3-9(14)13(5-10(15)16)7-1-2-7/h7-8H,1-6H2,(H,15,16).
What are the key properties of 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid?
2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid has a molecular weight of 251.23 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 103205868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).