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

C11H17NO4 — CID 62095576

IUPAC1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1CCCO1)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C11H17NO4/c1-12(7-8-3-2-6-16-8)9(13)11(4-5-11)10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyCCXMYQGSLSKNGI-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.49
Rot. Bonds4

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

1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62095576) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62095576
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1CCCO1)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C11H17NO4/c1-12(7-8-3-2-6-16-8)9(13)11(4-5-11)10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyCCXMYQGSLSKNGI-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62095576) is 1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid is CN(CC1CCCO1)C(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is CCXMYQGSLSKNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-12(7-8-3-2-6-16-8)9(13)11(4-5-11)10(14)15/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).