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

C9H14F3NO3 — CID 61490820

IUPAC2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-3-13(5-8(14)15)7-1-2-7/h7H,1-6H2,(H,14,15)
InChIKeyHJAJWZQLURXYIG-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.11
Rot. Bonds7

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

2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid (PubChem CID 61490820) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
PubChem CID61490820
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-3-13(5-8(14)15)7-1-2-7/h7H,1-6H2,(H,14,15)
InChIKeyHJAJWZQLURXYIG-UHFFFAOYSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.11
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

CID 89064611
CID 89064611
CID 54961978
CID 54961978
CID 54961980
CID 54961980
CID 54962224
CID 54962224
CID 54962276
CID 54962276
CID 54962378
CID 54962378
CID 54983399
CID 54983399
CID 55244988
CID 55244988
CID 55244989
CID 55244989
CID 60833696
CID 60833696
CID 60922951
CID 60922951
CID 61170595
CID 61170595

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid (CID 61490820) is 2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid is O=C(O)CN(CCOCC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The InChIKey is HJAJWZQLURXYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-3-13(5-8(14)15)7-1-2-7/h7H,1-6H2,(H,14,15).
What are the key properties of 2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid has a molecular weight of 241.21 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 61490820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).