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

C11H17F2NO4 — CID 106167995

IUPACcis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NCC(F)(F)CO)[C@H](C(=O)O)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)/t6?,7-,8+/m0/s1
InChIKeyAHSLVIGNVYTYQX-ZHFSPANRSA-N
MW265.26 g/mol
LogP0.48
Rot. Bonds5

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

cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 106167995) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID106167995
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Namecis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NCC(F)(F)CO)[C@H](C(=O)O)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)/t6?,7-,8+/m0/s1
InChIKeyAHSLVIGNVYTYQX-ZHFSPANRSA-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

Analyze cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 106167995) is cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1C[C@H](C(=O)NCC(F)(F)CO)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is AHSLVIGNVYTYQX-ZHFSPANRSA-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)/t6?,7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-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 cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 106167995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).