1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid

C13H22F3NO3 — CID 79582092

IUPAC1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C13H22F3NO3/c1-9(2)17-12(11(18)19)6-3-4-10(12)5-7-20-8-13(14,15)16/h9-10,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyMUGRLODQIHEINJ-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.58
Rot. Bonds7

About 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid

1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79582092) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79582092
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC Name1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C13H22F3NO3/c1-9(2)17-12(11(18)19)6-3-4-10(12)5-7-20-8-13(14,15)16/h9-10,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyMUGRLODQIHEINJ-UHFFFAOYSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
CID 79581093
1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581399
1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79588108
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 106448929
1-(methylamino)-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 115942606
2-[2-(3,3-dimethylbutoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79588315
1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
CID 79581903
2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79576444
2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
2-[2-(2-cyclopropylethoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106204227
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79577892
2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587363

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid (CID 79582092) is 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCCC1CCOCC(F)(F)F.
What is the InChIKey of 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is MUGRLODQIHEINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c1-9(2)17-12(11(18)19)6-3-4-10(12)5-7-20-8-13(14,15)16/h9-10,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid?
1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.32 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79582092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).