methyl 2-acetamidocyclobutane-1-carboxylate

C8H13NO3 — CID 163622472

IUPACmethyl 2-acetamidocyclobutane-1-carboxylate
SMILESCOC(=O)C1CCC1NC(C)=O
InChIInChI=1S/C8H13NO3/c1-5(10)9-7-4-3-6(7)8(11)12-2/h6-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyHPGZSQUXMZLSRX-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.07
Rot. Bonds2

About methyl 2-acetamidocyclobutane-1-carboxylate

methyl 2-acetamidocyclobutane-1-carboxylate (PubChem CID 163622472) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 2-acetamidocyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamidocyclobutane-1-carboxylate
PubChem CID163622472
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 2-acetamidocyclobutane-1-carboxylate
SMILESCOC(=O)C1CCC1NC(C)=O
InChIInChI=1S/C8H13NO3/c1-5(10)9-7-4-3-6(7)8(11)12-2/h6-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyHPGZSQUXMZLSRX-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamidocyclobutane-1-carboxylate?
The IUPAC name of methyl 2-acetamidocyclobutane-1-carboxylate (CID 163622472) is methyl 2-acetamidocyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2-acetamidocyclobutane-1-carboxylate?
The canonical SMILES for methyl 2-acetamidocyclobutane-1-carboxylate is COC(=O)C1CCC1NC(C)=O.
What is the InChIKey of methyl 2-acetamidocyclobutane-1-carboxylate?
The InChIKey is HPGZSQUXMZLSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(10)9-7-4-3-6(7)8(11)12-2/h6-7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of methyl 2-acetamidocyclobutane-1-carboxylate?
methyl 2-acetamidocyclobutane-1-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamidocyclobutane-1-carboxylate is sourced from PubChem (CID 163622472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).