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

C10H15NO4 — CID 82732714

IUPAC2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)C1CC1C(=O)O)C1CCOC1
InChIInChI=1S/C10H15NO4/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)
InChIKeyCWJBXCFQSNFOGB-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.05
Rot. Bonds3

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

2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 82732714) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID82732714
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)C1CC1C(=O)O)C1CCOC1
InChIInChI=1S/C10H15NO4/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)
InChIKeyCWJBXCFQSNFOGB-UHFFFAOYSA-N
XLogP-0.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 82732714) is 2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is CN(C(=O)C1CC1C(=O)O)C1CCOC1.
What is the InChIKey of 2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is CWJBXCFQSNFOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/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(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82732714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).