2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid

C9H14F3NO2 — CID 64566526

IUPAC2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid
SMILESO=C(O)CN(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)3-4-13(6-8(14)15)5-7-1-2-7/h7H,1-6H2,(H,14,15)
InChIKeyBWTFDKKCPTZGJJ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.74
Rot. Bonds6

About 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid

2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid (PubChem CID 64566526) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid
PubChem CID64566526
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid
SMILESO=C(O)CN(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)3-4-13(6-8(14)15)5-7-1-2-7/h7H,1-6H2,(H,14,15)
InChIKeyBWTFDKKCPTZGJJ-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
2-[(5-cyano-5-methylhexyl)-(cyclopropylmethyl)amino]acetic acid
CID 106713165
2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566123
2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 62626506
2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656450
2-[cyclobutylmethyl(2-methoxyethyl)amino]acetic acid
CID 65457394
2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
CID 65054998
2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266036
2-[cyclopropylmethyl-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 115351288
2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid
CID 43656768
2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid
CID 106439202
2-[(2-amino-2-oxoethyl)-(cyclobutylmethyl)amino]acetic acid
CID 107440783

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid (CID 64566526) is 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid is O=C(O)CN(CCC(F)(F)F)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid?
The InChIKey is BWTFDKKCPTZGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)3-4-13(6-8(14)15)5-7-1-2-7/h7H,1-6H2,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid?
2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid has a molecular weight of 225.21 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid is sourced from PubChem (CID 64566526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).