cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid

C14H15F2NO4 — CID 125132235

IUPACcis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESC[C@](O)(CNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO4/c1-14(21,10-3-2-7(15)4-11(10)16)6-17-12(18)8-5-9(8)13(19)20/h2-4,8-9,21H,5-6H2,1H3,(H,17,18)(H,19,20)/t8-,9+,14-/m0/s1
InChIKeyZUDQLZOTAREASD-QIBSRJKCSA-N
MW299.27 g/mol
LogP1.01
Rot. Bonds5

About cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 125132235) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID125132235
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Namecis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESC[C@](O)(CNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO4/c1-14(21,10-3-2-7(15)4-11(10)16)6-17-12(18)8-5-9(8)13(19)20/h2-4,8-9,21H,5-6H2,1H3,(H,17,18)(H,19,20)/t8-,9+,14-/m0/s1
InChIKeyZUDQLZOTAREASD-QIBSRJKCSA-N
XLogP1.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111335296
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 111335363
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165431
(2S)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methyl-3-methylsulfanylpropanamide
CID 96549103
(2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
CID 96525138
(2R)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
CID 100861022
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
CID 109491044
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide
CID 111335375

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 125132235) is cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid is C[C@](O)(CNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZUDQLZOTAREASD-QIBSRJKCSA-N. The full InChI is InChI=1S/C14H15F2NO4/c1-14(21,10-3-2-7(15)4-11(10)16)6-17-12(18)8-5-9(8)13(19)20/h2-4,8-9,21H,5-6H2,1H3,(H,17,18)(H,19,20)/t8-,9+,14-/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 1.01, 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-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125132235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).