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

C10H16F3NO3 — CID 54983399

IUPAC2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
SMILESO=C(O)CN(CCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-5-1-4-14(6-9(15)16)8-2-3-8/h8H,1-7H2,(H,15,16)
InChIKeyPLLPILDIQXWEDO-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds8

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

2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid (PubChem CID 54983399) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
PubChem CID54983399
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
SMILESO=C(O)CN(CCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-5-1-4-14(6-9(15)16)8-2-3-8/h8H,1-7H2,(H,15,16)
InChIKeyPLLPILDIQXWEDO-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
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

Carboxymethyl-dimethyl-[3-(2,2,2-trifluoroacetyl)oxypropyl]azanium
CID 130266652
2-[Cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961926
3-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 54961927
2-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961978
2-[Butan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961980
2-[Cyclopropylmethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962224
3-[Cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962276
2-[Butan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962378
2-[2-Methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54969258
2-[Carboxymethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 55244989
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 60833696
2-[Cyclopropyl(2,2-difluoroethyl)amino]acetic acid
CID 60922951

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid (CID 54983399) is 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid is O=C(O)CN(CCCOCC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
The InChIKey is PLLPILDIQXWEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-17-5-1-4-14(6-9(15)16)8-2-3-8/h8H,1-7H2,(H,15,16).
What are the key properties of 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid is sourced from PubChem (CID 54983399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).