tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate

C12H24N2O3 — CID 103554390

IUPACtert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate
SMILESCCC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-5-9(13)10-8-16-7-6-14(10)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyZBNQJXDBVQDPHU-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds2

About tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate

tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate (PubChem CID 103554390) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate
PubChem CID103554390
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate
SMILESCCC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-5-9(13)10-8-16-7-6-14(10)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyZBNQJXDBVQDPHU-UHFFFAOYSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate
CID 97135520
Carbamic acid, (3-morpholinylmethyl)-, 1,1-dimethylethyl ester
CID 19691327
1,1-Dimethylethyl 2-(2-aminoethyl)-4-morpholinecarboxylate
CID 23562635
(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 25417269
Tert-butyl 4-(2-(2-aminoethoxy)ethyl)piperazine-1-carboxylate
CID 39372804
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
3-Aminomethyl-4-boc-morpholine
CID 44182325
tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 53396191
1,1-Dimethylethyl 4-(2-aminoethoxy)-1-piperidinecarboxylate
CID 53900805
Tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate
CID 57886914
(S)-Tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate
CID 57960204
Tert-butyl 3-((oxan-4-yl)amino)azetidine-1-carboxylate
CID 63303306

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate (CID 103554390) is tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate is CCC(N)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate?
The InChIKey is ZBNQJXDBVQDPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-9(13)10-8-16-7-6-14(10)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate?
tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-aminopropyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).