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

C14H24F3NO3 — CID 79588108

IUPAC1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC1CCOC(C)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-9(2)18-13(12(19)20)7-4-5-11(13)6-8-21-10(3)14(15,16)17/h9-11,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyUJLUIILYUMKSJO-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.97
Rot. Bonds7

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

1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79588108) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79588108
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Name1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC1CCOC(C)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-9(2)18-13(12(19)20)7-4-5-11(13)6-8-21-10(3)14(15,16)17/h9-11,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyUJLUIILYUMKSJO-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79582092
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-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 106448929
2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587363
1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile
CID 79575827
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-(3,3-dimethylbutoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79588315
2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79571204
1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 79581172
1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
CID 79581903

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid (CID 79588108) is 1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCCC1CCOC(C)C(F)(F)F.
What is the InChIKey of 1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is UJLUIILYUMKSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-9(2)18-13(12(19)20)7-4-5-11(13)6-8-21-10(3)14(15,16)17/h9-11,18H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid?
1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.97, 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-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79588108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).