ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate

C12H24N2O3 — CID 104960242

IUPACethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
SMILESCCOC(=O)C(N)CCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H24N2O3/c1-4-16-12(15)11(13)5-6-14-7-9(2)17-10(3)8-14/h9-11H,4-8,13H2,1-3H3/t9-,10+,11?
InChIKeyNOLBHRRLHXNPMF-ZACCUICWSA-N
MW244.33 g/mol
LogP0.38
Rot. Bonds5

About ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate

ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate (PubChem CID 104960242) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
PubChem CID104960242
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
SMILESCCOC(=O)C(N)CCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H24N2O3/c1-4-16-12(15)11(13)5-6-14-7-9(2)17-10(3)8-14/h9-11H,4-8,13H2,1-3H3/t9-,10+,11?
InChIKeyNOLBHRRLHXNPMF-ZACCUICWSA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate with MolForge

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Related Compounds

ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate
CID 104960241
ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate
CID 25113400
ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
CID 63027402
ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
CID 63635250
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
methyl 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoate
CID 63029150
4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid
CID 63028379
2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104959272
ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
CID 83221351
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994
ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate
CID 52870602
ethyl 2-amino-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 55215441

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate?
The IUPAC name of ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate (CID 104960242) is ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate?
The canonical SMILES for ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate is CCOC(=O)C(N)CCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate?
The InChIKey is NOLBHRRLHXNPMF-ZACCUICWSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-16-12(15)11(13)5-6-14-7-9(2)17-10(3)8-14/h9-11H,4-8,13H2,1-3H3/t9-,10+,11?.
What are the key properties of ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate?
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate has a molecular weight of 244.33 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate is sourced from PubChem (CID 104960242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).