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

C11H17F2NO4 — CID 122067557

IUPAC2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCOCC(F)F)C1CC1
InChIInChI=1S/C11H17F2NO4/c1-7(11(16)17)14(8-2-3-8)10(15)4-5-18-6-9(12)13/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyYDOHBYFVWNINRW-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.12
Rot. Bonds8

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

2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid (PubChem CID 122067557) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid
PubChem CID122067557
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Name2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCOCC(F)F)C1CC1
InChIInChI=1S/C11H17F2NO4/c1-7(11(16)17)14(8-2-3-8)10(15)4-5-18-6-9(12)13/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyYDOHBYFVWNINRW-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.12
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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Related Compounds

2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
CID 119203177
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
2-[3-(2,2-difluoroethoxy)propanoyl-methylamino]acetic acid
CID 103205785
3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 103209354
1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one
CID 103147030
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296
2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid
CID 122067112
2-[3-(2,2-difluoroethoxy)propanoyl-methylamino]butanoic acid
CID 103205929
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 119202509
3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide
CID 103206367
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
CID 103208450
2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
CID 119202432

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid (CID 122067557) is 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)CCOCC(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid?
The InChIKey is YDOHBYFVWNINRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO4/c1-7(11(16)17)14(8-2-3-8)10(15)4-5-18-6-9(12)13/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid?
2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.12, 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]propanoic acid is sourced from PubChem (CID 122067557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).