tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate

C12H21NO4 — CID 165465373

IUPACtert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate
SMILESCOCC(=O)CN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13(9-5-6-9)7-10(14)8-16-4/h9H,5-8H2,1-4H3
InChIKeyZNZDNNJYWDXNNO-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.60
Rot. Bonds5

About tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate

tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate (PubChem CID 165465373) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate
PubChem CID165465373
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate
SMILESCOCC(=O)CN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13(9-5-6-9)7-10(14)8-16-4/h9H,5-8H2,1-4H3
InChIKeyZNZDNNJYWDXNNO-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-cyclopropyl-N-(3-oxohex-5-ynyl)carbamate
CID 165471654
tert-butyl N-cyclopentyl-N-(2-oxobut-3-ynyl)carbamate
CID 165471358
tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate
CID 177317159
methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 126676707
2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156633495
tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate
CID 126827438
tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
CID 71276149
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate (CID 165465373) is tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate is COCC(=O)CN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate?
The InChIKey is ZNZDNNJYWDXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13(9-5-6-9)7-10(14)8-16-4/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate?
tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate has a molecular weight of 243.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate is sourced from PubChem (CID 165465373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).