ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate

C12H24N2O3 — CID 62012945

IUPACethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-7-17-10(15)8-14(6)9(2)11(16)13-12(3,4)5/h9H,7-8H2,1-6H3,(H,13,16)
InChIKeyXDAPZVJCOVLAJL-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.78
Rot. Bonds5

About ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate

ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate (PubChem CID 62012945) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
PubChem CID62012945
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-7-17-10(15)8-14(6)9(2)11(16)13-12(3,4)5/h9H,7-8H2,1-6H3,(H,13,16)
InChIKeyXDAPZVJCOVLAJL-UHFFFAOYSA-N
XLogP0.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60677092
2-[2-aminoethyl(methyl)amino]-N-tert-butylpropanamide
CID 61348533
ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
CID 62026624
2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
CID 43116493
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide
CID 63761507
ethyl 4-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60677364
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate
CID 114448917
2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54925907
(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 92514457

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate (CID 62012945) is ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate is CCOC(=O)CN(C)C(C)C(=O)NC(C)(C)C.
What is the InChIKey of ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The InChIKey is XDAPZVJCOVLAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7-17-10(15)8-14(6)9(2)11(16)13-12(3,4)5/h9H,7-8H2,1-6H3,(H,13,16).
What are the key properties of ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate?
ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate is sourced from PubChem (CID 62012945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).