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

C17H30N2O4 — CID 26392962

IUPACethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCO[C@H](CC2CCCCC2)C1
InChIInChI=1S/C17H30N2O4/c1-2-22-16(20)8-9-18-17(21)19-10-11-23-15(13-19)12-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyOVYHOMXSMRMAOD-OAHLLOKOSA-N
MW326.44 g/mol
LogP2.32
Rot. Bonds6

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

ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate (PubChem CID 26392962) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate
PubChem CID26392962
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nameethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCO[C@H](CC2CCCCC2)C1
InChIInChI=1S/C17H30N2O4/c1-2-22-16(20)8-9-18-17(21)19-10-11-23-15(13-19)12-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyOVYHOMXSMRMAOD-OAHLLOKOSA-N
XLogP2.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate (CID 26392962) is ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)N1CCO[C@H](CC2CCCCC2)C1.
What is the InChIKey of ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate?
The InChIKey is OVYHOMXSMRMAOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-2-22-16(20)8-9-18-17(21)19-10-11-23-15(13-19)12-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3,(H,18,21)/t15-/m1/s1.
What are the key properties of ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate?
ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate has a molecular weight of 326.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 26392962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).