tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate

C11H22N2O3 — CID 23562635

IUPACtert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CCN)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-7-15-9(8-13)4-5-12/h9H,4-8,12H2,1-3H3
InChIKeyMKXWMSTYBUMLOC-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.97
Rot. Bonds2

About tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate

tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate (PubChem CID 23562635) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate
PubChem CID23562635
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CCN)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-7-15-9(8-13)4-5-12/h9H,4-8,12H2,1-3H3
InChIKeyMKXWMSTYBUMLOC-UHFFFAOYSA-N
XLogP0.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl N-(morpholin-2-ylmethyl)carbamate
CID 19081107
Tert-butyl 2-(aminomethyl)-1,4-oxazepane-4-carboxylate
CID 59510501
tert-butyl N-[3-(piperidin-4-yloxy)propyl]carbamate
CID 72108010
tert-Butyl (2-morpholin-2-ylethyl)carbamate
CID 25219056
tert-butyl N-(2-{[2-(morpholin-4-yl)ethyl]amino}ethyl)carbamate
CID 19420463
tert-butyl N-methyl-N-[(morpholin-2-yl)methyl]carbamate
CID 19691535
Tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate
CID 22708830
Tert-butyl 6-oxa-2,9-diazaspiro(4.5)decane-9-carboxylate
CID 23548219
Tert-butyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 25219681
(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 25417269
Tert-butyl 4-(2-(2-aminoethoxy)ethyl)piperazine-1-carboxylate
CID 39372804

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate (CID 23562635) is tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(CCN)C1.
What is the InChIKey of tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate?
The InChIKey is MKXWMSTYBUMLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-7-15-9(8-13)4-5-12/h9H,4-8,12H2,1-3H3.
What are the key properties of tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate?
tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate is sourced from PubChem (CID 23562635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).