methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate

C12H21NO4 — CID 122663372

IUPACmethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13(4)9-6-8(7-9)10(14)16-5/h8-9H,6-7H2,1-5H3
InChIKeyCEBZIFJCDJFSFZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.80
Rot. Bonds2

About methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate

methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate (PubChem CID 122663372) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
PubChem CID122663372
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13(4)9-6-8(7-9)10(14)16-5/h8-9H,6-7H2,1-5H3
InChIKeyCEBZIFJCDJFSFZ-UHFFFAOYSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate with MolForge

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Related Compounds

tert-Butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 53249565
Methyl cis-3-(Boc-amino)cyclobutanecarboxylate
CID 57415870
3-{[(Tert-butoxy)carbonyl](methyl)amino}cyclobutane-1-carboxylic acid
CID 118798285
tert-butyl N-(3-formylcyclobutyl)-N-methylcarbamate
CID 164574198
ethyl 4-(N-methyl-N-(tert-butoxycarbonyl)amino)pentanoate
CID 22714633
Ethyl 3-((tert-butoxycarbonyl)amino)cyclobutanecarboxylate
CID 57601141
methyl (4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 59367235
Methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 59868550
Iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 70330088
4-{[(Tert-butoxy)carbonyl](methyl)amino}-2-methylpentanoic acid
CID 87385696
Methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168
Methyl 3-(dimethylamino)cyclobutanecarboxylate
CID 90410277

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate (CID 122663372) is methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate is COC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The InChIKey is CEBZIFJCDJFSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13(4)9-6-8(7-9)10(14)16-5/h8-9H,6-7H2,1-5H3.
What are the key properties of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 122663372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).