2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid

C11H17F2NO4 — CID 103206059

IUPAC2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCOCC(F)F)NC1CCCC1C(=O)O
InChIInChI=1S/C11H17F2NO4/c12-9(13)6-18-5-4-10(15)14-8-3-1-2-7(8)11(16)17/h7-9H,1-6H2,(H,14,15)(H,16,17)
InChIKeyJTCWCOVDBPISAN-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.03
Rot. Bonds7

About 2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid

2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 103206059) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID103206059
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Name2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCOCC(F)F)NC1CCCC1C(=O)O
InChIInChI=1S/C11H17F2NO4/c12-9(13)6-18-5-4-10(15)14-8-3-1-2-7(8)11(16)17/h7-9H,1-6H2,(H,14,15)(H,16,17)
InChIKeyJTCWCOVDBPISAN-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.03
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

cis-(1R,2S)-2-[3-[(2R,5S)-5-(trifluoromethyl)oxolan-2-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 164630157
6-[3-(2,2,2-Trifluoroethoxy)propanoylamino]hexanoic acid
CID 43352875
3-[3-(2,2,2-Trifluoroethoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 63044367
4-Ethyl-6-[3-(2,2,2-trifluoroethoxy)propanoylamino]hexanoic acid
CID 64349005
4-Methyl-6-[3-(2,2,2-trifluoroethoxy)propanoylamino]hexanoic acid
CID 64365712
2-[3-(2,2,2-Trifluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812443
2-(3,3,3-Trifluoropropanoylamino)cyclopentane-1-carboxylic acid
CID 64813039
2-(Trifluoroacetamido)cyclopentane-1-carboxylic acid
CID 64813712
2-[3-(2,2,2-Trifluoroethoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 64814777
2-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815422
2-(2,2,2-Trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817204
2-[[3-(2,2,2-Trifluoroethoxy)propanoylamino]methyl]pentanoic acid
CID 65219870

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid (CID 103206059) is 2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCOCC(F)F)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JTCWCOVDBPISAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO4/c12-9(13)6-18-5-4-10(15)14-8-3-1-2-7(8)11(16)17/h7-9H,1-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid?
2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103206059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).