ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate

C11H22N2O3 — CID 61012269

IUPACethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-6-13(8-9(14)16-7-2)10(15)12-11(3,4)5/h6-8H2,1-5H3,(H,12,15)
InChIKeyDVDGIHHYQPEMCF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.38
Rot. Bonds4

About ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate

ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate (PubChem CID 61012269) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
PubChem CID61012269
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-6-13(8-9(14)16-7-2)10(15)12-11(3,4)5/h6-8H2,1-5H3,(H,12,15)
InChIKeyDVDGIHHYQPEMCF-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002388
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428627
ethyl 2-[cyclopropylcarbamoyl(ethyl)amino]acetate
CID 62700813
ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340
2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid
CID 63644812
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
ethyl 2-[(2-tert-butylsulfanylacetyl)-ethylamino]acetate
CID 54901432
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
tert-butyl 3-[bis(2-ethoxy-2-oxoethyl)amino]-3-oxopropanoate
CID 142661565
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
ethyl 2-[ethyl(2-methylpropanoyl)amino]acetate
CID 61021514

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate?
The IUPAC name of ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate (CID 61012269) is ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate?
The canonical SMILES for ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate is CCOC(=O)CN(CC)C(=O)NC(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate?
The InChIKey is DVDGIHHYQPEMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-13(8-9(14)16-7-2)10(15)12-11(3,4)5/h6-8H2,1-5H3,(H,12,15).
What are the key properties of ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate?
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate has a molecular weight of 230.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate is sourced from PubChem (CID 61012269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).