2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid

C9H14F3NO3 — CID 103224692

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO3/c1-16-4-7(8(14)15)13(6-2-3-6)5-9(10,11)12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyDWXDSZJPYIXPAC-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.11
Rot. Bonds6

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid (PubChem CID 103224692) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid
PubChem CID103224692
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO3/c1-16-4-7(8(14)15)13(6-2-3-6)5-9(10,11)12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyDWXDSZJPYIXPAC-UHFFFAOYSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid (CID 103224692) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid is COCC(C(=O)O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid?
The InChIKey is DWXDSZJPYIXPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-16-4-7(8(14)15)13(6-2-3-6)5-9(10,11)12/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid has a molecular weight of 241.21 g/mol, XLogP of 1.11, 6 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-trifluoroethyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 103224692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).