3-acetamidocyclobutane-1-carboxylic acid;ethane

C9H17NO3 — CID 156880013

IUPAC3-acetamidocyclobutane-1-carboxylic acid;ethane
SMILESCC.CC(=O)NC1CC(C(=O)O)C1
InChIInChI=1S/C7H11NO3.C2H6/c1-4(9)8-6-2-5(3-6)7(10)11;1-2/h5-6H,2-3H2,1H3,(H,8,9)(H,10,11);1-2H3
InChIKeyCWUYVJOPWFHXGF-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.01
Rot. Bonds2

About 3-acetamidocyclobutane-1-carboxylic acid;ethane

3-acetamidocyclobutane-1-carboxylic acid;ethane (PubChem CID 156880013) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-acetamidocyclobutane-1-carboxylic acid;ethane.

Molecular Properties

Compound Name3-acetamidocyclobutane-1-carboxylic acid;ethane
PubChem CID156880013
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-acetamidocyclobutane-1-carboxylic acid;ethane
SMILESCC.CC(=O)NC1CC(C(=O)O)C1
InChIInChI=1S/C7H11NO3.C2H6/c1-4(9)8-6-2-5(3-6)7(10)11;1-2/h5-6H,2-3H2,1H3,(H,8,9)(H,10,11);1-2H3
InChIKeyCWUYVJOPWFHXGF-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamidocyclobutane-1-carboxylic acid;ethane?
The IUPAC name of 3-acetamidocyclobutane-1-carboxylic acid;ethane (CID 156880013) is 3-acetamidocyclobutane-1-carboxylic acid;ethane.
What is the SMILES notation for 3-acetamidocyclobutane-1-carboxylic acid;ethane?
The canonical SMILES for 3-acetamidocyclobutane-1-carboxylic acid;ethane is CC.CC(=O)NC1CC(C(=O)O)C1.
What is the InChIKey of 3-acetamidocyclobutane-1-carboxylic acid;ethane?
The InChIKey is CWUYVJOPWFHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.C2H6/c1-4(9)8-6-2-5(3-6)7(10)11;1-2/h5-6H,2-3H2,1H3,(H,8,9)(H,10,11);1-2H3.
What are the key properties of 3-acetamidocyclobutane-1-carboxylic acid;ethane?
3-acetamidocyclobutane-1-carboxylic acid;ethane has a molecular weight of 187.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidocyclobutane-1-carboxylic acid;ethane is sourced from PubChem (CID 156880013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).