3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid

C9H16F3NO3 — CID 103224693

IUPAC3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCCN(CC(F)(F)F)C(COC)C(=O)O
InChIInChI=1S/C9H16F3NO3/c1-3-4-13(6-9(10,11)12)7(5-16-2)8(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyQMHDCYMKNZVOAJ-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.36
Rot. Bonds7

About 3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid

3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 103224693) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID103224693
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCCN(CC(F)(F)F)C(COC)C(=O)O
InChIInChI=1S/C9H16F3NO3/c1-3-4-13(6-9(10,11)12)7(5-16-2)8(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyQMHDCYMKNZVOAJ-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipropylamino)-4-methoxybutanoic acid
CID 79694443
3-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]propanoic acid
CID 103224638
1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225901
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103224684
4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 64693783
2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methoxypropanoic acid
CID 103224639
3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 103229534
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272694
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
CID 103224662
2-[2-cyanoethyl(2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103224696
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol
CID 114357027

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 103224693) is 3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid is CCCN(CC(F)(F)F)C(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is QMHDCYMKNZVOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-3-4-13(6-9(10,11)12)7(5-16-2)8(14)15/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 243.22 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 103224693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).