1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid

C9H10O3S — CID 116836256

IUPAC1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(O)c2cccs2)CC1
InChIInChI=1S/C9H10O3S/c10-7(6-2-1-5-13-6)9(3-4-9)8(11)12/h1-2,5,7,10H,3-4H2,(H,11,12)
InChIKeyIPGHVMMCQPLGCG-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.65
Rot. Bonds3

About 1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid

1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116836256) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116836256
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(O)c2cccs2)CC1
InChIInChI=1S/C9H10O3S/c10-7(6-2-1-5-13-6)9(3-4-9)8(11)12/h1-2,5,7,10H,3-4H2,(H,11,12)
InChIKeyIPGHVMMCQPLGCG-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol
CID 103451819
(2-methyloxan-2-yl)-thiophen-2-ylmethanol
CID 80685813
1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 84674072
1-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984782
3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid
CID 131000852
1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid
CID 84690733
1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
CID 96927128
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
CID 116755748
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
CID 6994519
[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
CID 79134716

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid (CID 116836256) is 1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(O)c2cccs2)CC1.
What is the InChIKey of 1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IPGHVMMCQPLGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c10-7(6-2-1-5-13-6)9(3-4-9)8(11)12/h1-2,5,7,10H,3-4H2,(H,11,12).
What are the key properties of 1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid?
1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 198.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116836256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).