ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate

C11H21NO4 — CID 174901087

IUPACethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)COC(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6-15-9(13)8(2)7-16-10(14)12-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyBYMNAJWMNWYTIC-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.71
Rot. Bonds4

About ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate

ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate (PubChem CID 174901087) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
PubChem CID174901087
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)COC(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6-15-9(13)8(2)7-16-10(14)12-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyBYMNAJWMNWYTIC-UHFFFAOYSA-N
XLogP1.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxypropyl N-tert-butylcarbamate
CID 174838814
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 115356417
ethyl N-(1-amino-2-methylpropan-2-yl)carbamate
CID 63194135
ethyl 3-butanoyloxy-2-methylpropanoate
CID 174484909
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate
CID 175605788
ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate
CID 58928740
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
CID 175489678
CID 89060665
CID 89060665
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate?
The IUPAC name of ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate (CID 174901087) is ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate is CCOC(=O)C(C)COC(=O)NC(C)(C)C.
What is the InChIKey of ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate?
The InChIKey is BYMNAJWMNWYTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-15-9(13)8(2)7-16-10(14)12-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14).
What are the key properties of ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate?
ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate has a molecular weight of 231.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate is sourced from PubChem (CID 174901087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).