ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate

C14H27N3O4 — CID 45201206

IUPACethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCOC(CCN(C)C)C1
InChIInChI=1S/C14H27N3O4/c1-4-20-13(18)5-7-15-14(19)17-9-10-21-12(11-17)6-8-16(2)3/h12H,4-11H2,1-3H3,(H,15,19)
InChIKeyCJYHGJBTVCVQER-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.30
Rot. Bonds7

About ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate

ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate (PubChem CID 45201206) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate
PubChem CID45201206
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Nameethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCOC(CCN(C)C)C1
InChIInChI=1S/C14H27N3O4/c1-4-20-13(18)5-7-15-14(19)17-9-10-21-12(11-17)6-8-16(2)3/h12H,4-11H2,1-3H3,(H,15,19)
InChIKeyCJYHGJBTVCVQER-UHFFFAOYSA-N
XLogP0.30
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate (CID 45201206) is ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)N1CCOC(CCN(C)C)C1.
What is the InChIKey of ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate?
The InChIKey is CJYHGJBTVCVQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-4-20-13(18)5-7-15-14(19)17-9-10-21-12(11-17)6-8-16(2)3/h12H,4-11H2,1-3H3,(H,15,19).
What are the key properties of ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate?
ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate has a molecular weight of 301.39 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[2-(dimethylamino)ethyl]morpholine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 45201206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).