2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid

C12H21F2NO2 — CID 166251795

IUPAC2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CCC1CCCC1(F)F)CC(=O)O
InChIInChI=1S/C12H21F2NO2/c1-9(2)15(8-11(16)17)7-5-10-4-3-6-12(10,13)14/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyZYSSGAASPMAQJM-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.61
Rot. Bonds6

About 2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid

2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid (PubChem CID 166251795) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid
PubChem CID166251795
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CCC1CCCC1(F)F)CC(=O)O
InChIInChI=1S/C12H21F2NO2/c1-9(2)15(8-11(16)17)7-5-10-4-3-6-12(10,13)14/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyZYSSGAASPMAQJM-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid (CID 166251795) is 2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid is CC(C)N(CCC1CCCC1(F)F)CC(=O)O.
What is the InChIKey of 2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid?
The InChIKey is ZYSSGAASPMAQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-9(2)15(8-11(16)17)7-5-10-4-3-6-12(10,13)14/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid?
2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid has a molecular weight of 249.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 166251795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).