2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid

C13H20F3NO2 — CID 65054518

IUPAC2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)10-2-1-3-11(6-10)17(8-12(18)19)7-9-4-5-9/h9-11H,1-8H2,(H,18,19)
InChIKeyRTFZEVZHDYLBCG-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.90
Rot. Bonds5

About 2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid

2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid (PubChem CID 65054518) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
PubChem CID65054518
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)10-2-1-3-11(6-10)17(8-12(18)19)7-9-4-5-9/h9-11H,1-8H2,(H,18,19)
InChIKeyRTFZEVZHDYLBCG-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Fluorocyclohexyl)methyl-methylamino]acetic acid
CID 140496603
2-[[3-(Trifluoromethyl)cyclohexyl]amino]acetic acid
CID 64757970
2-[Cyclopropylmethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65055055
2-[4-[3-(Trifluoromethyl)cyclohexyl]piperazin-1-yl]acetic acid
CID 65055925
2-[Methyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65056066
2-[Methyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65056354
2-[Propan-2-yl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65056705
2-[Propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65057250
2-[Cyclopropyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65057437
2-[Cyclopropyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65057774
2-[Cyclopentyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65058315
2-[Cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65058705

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid (CID 65054518) is 2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The InChIKey is RTFZEVZHDYLBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)10-2-1-3-11(6-10)17(8-12(18)19)7-9-4-5-9/h9-11H,1-8H2,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid is sourced from PubChem (CID 65054518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).