methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate

C13H24N2O4 — CID 94062951

IUPACmethyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)CN1C[C@H](C)OC[C@H]1C
InChIInChI=1S/C13H24N2O4/c1-10-9-19-11(2)7-15(10)8-12(16)14-6-4-5-13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)/t10-,11+/m1/s1
InChIKeySCKNHGJSKSWONG-MNOVXSKESA-N
MW272.34 g/mol
LogP0.17
Rot. Bonds6

About methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate

methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate (PubChem CID 94062951) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate
PubChem CID94062951
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)CN1C[C@H](C)OC[C@H]1C
InChIInChI=1S/C13H24N2O4/c1-10-9-19-11(2)7-15(10)8-12(16)14-6-4-5-13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)/t10-,11+/m1/s1
InChIKeySCKNHGJSKSWONG-MNOVXSKESA-N
XLogP0.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate with MolForge

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Related Compounds

Ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate
CID 2133505
2-(2-ethylmorpholin-4-yl)-N-propan-2-ylacetamide
CID 53525512
Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate
CID 131920
Isopropyl 2-(3-oxo-2-piperazinyl)acetate
CID 3455977
Sec-butyl 2-(3-oxo-2-piperazinyl)acetate
CID 16641255
N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 46798170
N-[1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]acetamide
CID 128537882
Ethyl (5-oxopiperazin-2-YL)acetate
CID 15864171
Propyl 3-methyl-5-oxopiperazine-2-carboxylate
CID 71606785
tert-butyl (S)-2-(7-oxo-2-oxa-5,8-diazaspiro[3.5]nonan-6-yl)acetate
CID 124249332
2,5-Diketopiperazin-3,6-diessigsaurediathylester
CID 129642751
Ethyl 3-methyl-5-oxopiperazine-2-carboxylate
CID 129842546

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate?
The IUPAC name of methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate (CID 94062951) is methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate?
The canonical SMILES for methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate is COC(=O)CCCNC(=O)CN1C[C@H](C)OC[C@H]1C.
What is the InChIKey of methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate?
The InChIKey is SCKNHGJSKSWONG-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10-9-19-11(2)7-15(10)8-12(16)14-6-4-5-13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)/t10-,11+/m1/s1.
What are the key properties of methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate?
methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate has a molecular weight of 272.34 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate is sourced from PubChem (CID 94062951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).