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

C10H14F3NO4 — CID 54946251

IUPAC2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-4-3-8(15)14(5-9(16)17)7-1-2-7/h7H,1-6H2,(H,16,17)
InChIKeyNWRYPENSQVJPON-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.03
Rot. Bonds7

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

2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (PubChem CID 54946251) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
PubChem CID54946251
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-4-3-8(15)14(5-9(16)17)7-1-2-7/h7H,1-6H2,(H,16,17)
InChIKeyNWRYPENSQVJPON-UHFFFAOYSA-N
XLogP1.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.03
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-[Methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 43356205
Methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
CID 43423880
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43577193
2-[Cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 43655307
2-[Ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54901511
2-[Butan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54925780
Methyl 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
CID 54945930
Ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 54984180
2-[Cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826230
2-[Cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 60827286
2-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 60831042
3-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid
CID 60844904

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (CID 54946251) is 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is O=C(O)CN(C(=O)CCOCC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The InChIKey is NWRYPENSQVJPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c11-10(12,13)6-18-4-3-8(15)14(5-9(16)17)7-1-2-7/h7H,1-6H2,(H,16,17).
What are the key properties of 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid has a molecular weight of 269.22 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 54946251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).