2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C11H17F2NO4 — CID 114153016

IUPAC2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCC(F)(F)CO)C1
InChIInChI=1S/C11H17F2NO4/c1-6-2-7(8(3-6)10(17)18)9(16)14-4-11(12,13)5-15/h6-8,15H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyAHSLVIGNVYTYQX-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.48
Rot. Bonds5

About 2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114153016) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114153016
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Name2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCC(F)(F)CO)C1
InChIInChI=1S/C11H17F2NO4/c1-6-2-7(8(3-6)10(17)18)9(16)14-4-11(12,13)5-15/h6-8,15H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyAHSLVIGNVYTYQX-UHFFFAOYSA-N
XLogP0.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114153016) is 2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCC(F)(F)CO)C1.
What is the InChIKey of 2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is AHSLVIGNVYTYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO4/c1-6-2-7(8(3-6)10(17)18)9(16)14-4-11(12,13)5-15/h6-8,15H,2-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114153016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).