5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid

C9H10O3S — CID 157047306

IUPAC5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(C2(CO)CC2)c1
InChIInChI=1S/C9H10O3S/c10-5-9(1-2-9)7-3-6(4-13-7)8(11)12/h3-4,10H,1-2,5H2,(H,11,12)
InChIKeyYOCSEASOWTVFEI-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.47
Rot. Bonds3

About 5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid

5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid (PubChem CID 157047306) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid
PubChem CID157047306
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(C2(CO)CC2)c1
InChIInChI=1S/C9H10O3S/c10-5-9(1-2-9)7-3-6(4-13-7)8(11)12/h3-4,10H,1-2,5H2,(H,11,12)
InChIKeyYOCSEASOWTVFEI-UHFFFAOYSA-N
XLogP1.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid
CID 90285447
2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid
CID 96614312
5-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]thiophene-3-carboxylic acid
CID 114756041
5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
CID 115764922
5-(3-amino-1,2-dihydroxypropyl)thiophene-3-carboxylic acid
CID 170827639
5-[(3-methylpentan-3-ylamino)methyl]thiophene-3-carboxylic acid
CID 106328425
5-(2-aminocyclopropyl)thiophene-3-carboxylic acid
CID 130253514
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114099312
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid
CID 63158586
5-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 115282496
5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 105413237
5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid
CID 170904569

Frequently Asked Questions

What is the IUPAC name of 5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid (CID 157047306) is 5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid is O=C(O)c1csc(C2(CO)CC2)c1.
What is the InChIKey of 5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid?
The InChIKey is YOCSEASOWTVFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c10-5-9(1-2-9)7-3-6(4-13-7)8(11)12/h3-4,10H,1-2,5H2,(H,11,12).
What are the key properties of 5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid?
5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid has a molecular weight of 198.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 157047306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).