1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H17NO4 — CID 102866019

IUPAC1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N(CCO)C2CCC2)CC1
InChIInChI=1S/C11H17NO4/c13-7-6-12(8-2-1-3-8)9(14)11(4-5-11)10(15)16/h8,13H,1-7H2,(H,15,16)
InChIKeyLQGGSWPORAFMEE-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.22
Rot. Bonds5

About 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 102866019) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID102866019
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N(CCO)C2CCC2)CC1
InChIInChI=1S/C11H17NO4/c13-7-6-12(8-2-1-3-8)9(14)11(4-5-11)10(15)16/h8,13H,1-7H2,(H,15,16)
InChIKeyLQGGSWPORAFMEE-UHFFFAOYSA-N
XLogP0.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
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-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 102866019) is 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)N(CCO)C2CCC2)CC1.
What is the InChIKey of 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LQGGSWPORAFMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-7-6-12(8-2-1-3-8)9(14)11(4-5-11)10(15)16/h8,13H,1-7H2,(H,15,16).
What are the key properties of 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102866019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).