[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate

C14H27NO4 — CID 71907535

IUPAC[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
SMILESCC(C)(COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-12(2,3)10(16)18-9-14(7,8)15-11(17)19-13(4,5)6/h9H2,1-8H3,(H,15,17)
InChIKeyIISYXYOJYXESFN-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.88
Rot. Bonds3

About [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate

[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate (PubChem CID 71907535) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
PubChem CID71907535
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
SMILESCC(C)(COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-12(2,3)10(16)18-9-14(7,8)15-11(17)19-13(4,5)6/h9H2,1-8H3,(H,15,17)
InChIKeyIISYXYOJYXESFN-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
tert-butyl N-(3-carbamothioylpentan-3-yl)carbamate
CID 61338393
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
[2-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 165141631
tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 22282534
diethyl (2R)-2-carbamoyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 86661710
tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine
CID 159883032
[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 10506331
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
4-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoic acid
CID 23087075
tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
CID 11369088
2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 123216246

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate (CID 71907535) is [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate is CC(C)(COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate?
The InChIKey is IISYXYOJYXESFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-12(2,3)10(16)18-9-14(7,8)15-11(17)19-13(4,5)6/h9H2,1-8H3,(H,15,17).
What are the key properties of [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate?
[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate has a molecular weight of 273.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 71907535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).