tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate

C13H26N2O3 — CID 113235636

IUPACtert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
SMILESCCN1CCOC(CNCC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-5-15-6-7-17-11(10-15)8-14-9-12(16)18-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyTYFQDFUHBUUCAV-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.64
Rot. Bonds5

About tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate

tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate (PubChem CID 113235636) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
PubChem CID113235636
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
SMILESCCN1CCOC(CNCC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-5-15-6-7-17-11(10-15)8-14-9-12(16)18-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyTYFQDFUHBUUCAV-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643
2-[(4-ethylmorpholin-2-yl)methylamino]-N,N-dimethylacetamide
CID 78960517
2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78960685
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate
CID 79833522
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979
tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate
CID 156853972
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115363535
2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 103710582
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate (CID 113235636) is tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate is CCN1CCOC(CNCC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate?
The InChIKey is TYFQDFUHBUUCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-15-6-7-17-11(10-15)8-14-9-12(16)18-13(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate?
tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate has a molecular weight of 258.36 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate is sourced from PubChem (CID 113235636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).