methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate

C14H26N2O4 — CID 103262996

IUPACmethyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate
SMILESCCCCC(NCCC(=O)N1CCOCC1)C(=O)OC
InChIInChI=1S/C14H26N2O4/c1-3-4-5-12(14(18)19-2)15-7-6-13(17)16-8-10-20-11-9-16/h12,15H,3-11H2,1-2H3
InChIKeyNNYQELHCHOJSPD-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.56
Rot. Bonds8

About methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate

methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate (PubChem CID 103262996) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate
PubChem CID103262996
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate
SMILESCCCCC(NCCC(=O)N1CCOCC1)C(=O)OC
InChIInChI=1S/C14H26N2O4/c1-3-4-5-12(14(18)19-2)15-7-6-13(17)16-8-10-20-11-9-16/h12,15H,3-11H2,1-2H3
InChIKeyNNYQELHCHOJSPD-UHFFFAOYSA-N
XLogP0.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one
CID 112696580
1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
CID 115713469
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]but-3-enoate
CID 114242559
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate
CID 54940231
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
CID 103248818
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]hexanoate
CID 103257015
3-(heptan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112700170
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
methyl 2-bromo-3-[(3-morpholin-4-yl-3-oxopropyl)amino]propanoate
CID 103263000

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate?
The IUPAC name of methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate (CID 103262996) is methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate?
The canonical SMILES for methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate is CCCCC(NCCC(=O)N1CCOCC1)C(=O)OC.
What is the InChIKey of methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate?
The InChIKey is NNYQELHCHOJSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-5-12(14(18)19-2)15-7-6-13(17)16-8-10-20-11-9-16/h12,15H,3-11H2,1-2H3.
What are the key properties of methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate?
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate has a molecular weight of 286.37 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate is sourced from PubChem (CID 103262996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).