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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Related Compounds

dimethyl (1R,3S,4S)-4-acetamidocyclohexane-1,3-dicarboxylate
CID 11859526
trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide
CID 71513961
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
trans-methyl (1S,2S)-2-(dodecanoylamino)cyclobutane-1-carboxylate
CID 177480938
cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate
CID 11682154
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846

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).