2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

C10H15NO3S — CID 60791236

IUPAC2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)C1CC1C(=O)O)C1CCSC1
InChIInChI=1S/C10H15NO3S/c1-11(6-2-3-15-5-6)9(12)7-4-8(7)10(13)14/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyABHFGUDPQZOTJJ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.67
Rot. Bonds3

About 2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60791236) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60791236
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)C1CC1C(=O)O)C1CCSC1
InChIInChI=1S/C10H15NO3S/c1-11(6-2-3-15-5-6)9(12)7-4-8(7)10(13)14/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyABHFGUDPQZOTJJ-UHFFFAOYSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60791236) is 2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is CN(C(=O)C1CC1C(=O)O)C1CCSC1.
What is the InChIKey of 2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ABHFGUDPQZOTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-11(6-2-3-15-5-6)9(12)7-4-8(7)10(13)14/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 229.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).