cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate

C10H17NO5 — CID 11345257

IUPACcis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate
SMILESCOCO[C@@H]1CC[C@]1(NC(C)=O)C(=O)OC
InChIInChI=1S/C10H17NO5/c1-7(12)11-10(9(13)15-3)5-4-8(10)16-6-14-2/h8H,4-6H2,1-3H3,(H,11,12)/t8-,10-/m1/s1
InChIKeyJAXCLDAYQHDSDX-PSASIEDQSA-N
MW231.25 g/mol
LogP-0.18
Rot. Bonds5

About cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate

cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate (PubChem CID 11345257) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate
PubChem CID11345257
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namecis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate
SMILESCOCO[C@@H]1CC[C@]1(NC(C)=O)C(=O)OC
InChIInChI=1S/C10H17NO5/c1-7(12)11-10(9(13)15-3)5-4-8(10)16-6-14-2/h8H,4-6H2,1-3H3,(H,11,12)/t8-,10-/m1/s1
InChIKeyJAXCLDAYQHDSDX-PSASIEDQSA-N
XLogP-0.18
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride
CID 22362402
methyl (1S,5R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptane-7-carboxylate
CID 46178121
[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225191
[(1R,2R,6S)-2-(acetyloxymethyl)-2-hydroxy-6-(methoxymethoxy)-1-methylcyclohexyl]methyl acetate
CID 101354324
N-(1-cyclopropylcyclopropyl)acetamide
CID 131085975
methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)cyclobutane-1-carboxylate
CID 119054900
dimethyl 4,4-diacetylcyclohexane-1,1-dicarboxylate
CID 71078652
methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 64754964
methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate
CID 59557463
[1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol
CID 18670315
dimethyl 2-methylcyclobutane-1,1-dicarboxylate
CID 574749
cis-methyl (1R,2R)-1-acetamido-2-[(2R)-2-[acetyl(benzyl)amino]-3-methoxy-3-oxopropyl]cyclopentane-1-carboxylate
CID 11258616

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate (CID 11345257) is cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate is COCO[C@@H]1CC[C@]1(NC(C)=O)C(=O)OC.
What is the InChIKey of cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate?
The InChIKey is JAXCLDAYQHDSDX-PSASIEDQSA-N. The full InChI is InChI=1S/C10H17NO5/c1-7(12)11-10(9(13)15-3)5-4-8(10)16-6-14-2/h8H,4-6H2,1-3H3,(H,11,12)/t8-,10-/m1/s1.
What are the key properties of cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate?
cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate has a molecular weight of 231.25 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate is sourced from PubChem (CID 11345257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).