2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid

C9H14F3NO3 — CID 80996218

IUPAC2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(CN(CCO)C1CC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(8(15)16)5-13(3-4-14)6-1-2-6/h6-7,14H,1-5H2,(H,15,16)
InChIKeyHZVLTPFUWXMMAZ-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.71
Rot. Bonds6

About 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid

2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 80996218) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid
PubChem CID80996218
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(CN(CCO)C1CC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(8(15)16)5-13(3-4-14)6-1-2-6/h6-7,14H,1-5H2,(H,15,16)
InChIKeyHZVLTPFUWXMMAZ-UHFFFAOYSA-N
XLogP0.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[Methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]cyclopropane-1-carboxylic acid
CID 145202543
3-[Cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962276
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60839696
3-[Cyclopropyl(2,2-difluoroethyl)amino]propanoic acid
CID 60922418
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpropanoic acid
CID 61605093
2-Methyl-3-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
CID 63899658
3-[Cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
CID 63901093
3-[Cyclopropyl(3,3,3-trifluoropropyl)amino]propanoic acid
CID 64566528
3-[Cyclopropyl-[2-(trifluoromethoxy)ethyl]amino]propanoic acid
CID 65806102
3-[2-(Cyclopropylmethoxy)ethyl-methylamino]-4,4,4-trifluorobutanoic acid
CID 80333887
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80995896
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]propanoic acid
CID 80996113

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid (CID 80996218) is 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid is O=C(O)C(CN(CCO)C1CC1)C(F)(F)F.
What is the InChIKey of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is HZVLTPFUWXMMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)7(8(15)16)5-13(3-4-14)6-1-2-6/h6-7,14H,1-5H2,(H,15,16).
What are the key properties of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 241.21 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 80996218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).