tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate

C12H21NO4 — CID 58431089

IUPACtert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate
SMILESCON(C)C(=O)C1(CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H21NO4/c1-11(2,3)17-9(14)8-12(6-7-12)10(15)13(4)16-5/h6-8H2,1-5H3
InChIKeyYNFRITVBCZPSLF-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.52
Rot. Bonds4

About tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate

tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate (PubChem CID 58431089) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate
PubChem CID58431089
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate
SMILESCON(C)C(=O)C1(CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H21NO4/c1-11(2,3)17-9(14)8-12(6-7-12)10(15)13(4)16-5/h6-8H2,1-5H3
InChIKeyYNFRITVBCZPSLF-UHFFFAOYSA-N
XLogP1.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate
CID 158776488
tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate
CID 175627299
chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate
CID 158639517
tert-butyl 2-(3-prop-1-en-2-ylpyrrolidin-3-yl)acetate
CID 140992404
tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate
CID 162509759
1-amino-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 65464735
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
tert-butyl 2-[1-[cyano(hydroxy)methyl]cyclopentyl]acetate
CID 167708398
methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate
CID 15659574
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
CID 137480139
3-(difluoromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 161426600
tert-butyl 4-[methoxy(methyl)carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 169066755

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate?
The IUPAC name of tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate (CID 58431089) is tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate.
What is the SMILES notation for tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate?
The canonical SMILES for tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate is CON(C)C(=O)C1(CC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate?
The InChIKey is YNFRITVBCZPSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-11(2,3)17-9(14)8-12(6-7-12)10(15)13(4)16-5/h6-8H2,1-5H3.
What are the key properties of tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate?
tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate has a molecular weight of 243.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate is sourced from PubChem (CID 58431089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).