ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate

C12H22N2O4 — CID 124777783

IUPACethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate
SMILESCCOC(=O)[C@@H](CC)N1C[C@@H](C)O[C@@H](C(N)=O)C1
InChIInChI=1S/C12H22N2O4/c1-4-9(12(16)17-5-2)14-6-8(3)18-10(7-14)11(13)15/h8-10H,4-7H2,1-3H3,(H2,13,15)/t8-,9-,10-/m1/s1
InChIKeyKBDKXXJZZJBDMK-OPRDCNLKSA-N
MW258.32 g/mol
LogP-0.10
Rot. Bonds5

About ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate

ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate (PubChem CID 124777783) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate
PubChem CID124777783
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate
SMILESCCOC(=O)[C@@H](CC)N1C[C@@H](C)O[C@@H](C(N)=O)C1
InChIInChI=1S/C12H22N2O4/c1-4-9(12(16)17-5-2)14-6-8(3)18-10(7-14)11(13)15/h8-10H,4-7H2,1-3H3,(H2,13,15)/t8-,9-,10-/m1/s1
InChIKeyKBDKXXJZZJBDMK-OPRDCNLKSA-N
XLogP-0.10
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate with MolForge

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Related Compounds

ethyl 2-(3,4-dimethoxypyrrolidin-1-yl)butanoate
CID 103535264
4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide
CID 140671742
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide
CID 104958917
1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one
CID 82256543
ethyl 2-(4-carbamothioylpiperidin-1-yl)butanoate
CID 64662354
ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
CID 64662468
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate
CID 64663422
ethyl 1-(1-ethoxy-1-oxobutan-2-yl)piperidine-3-carboxylate
CID 64663416
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242
ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 64660664

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate?
The IUPAC name of ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate (CID 124777783) is ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate.
What is the SMILES notation for ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate?
The canonical SMILES for ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate is CCOC(=O)[C@@H](CC)N1C[C@@H](C)O[C@@H](C(N)=O)C1.
What is the InChIKey of ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate?
The InChIKey is KBDKXXJZZJBDMK-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-9(12(16)17-5-2)14-6-8(3)18-10(7-14)11(13)15/h8-10H,4-7H2,1-3H3,(H2,13,15)/t8-,9-,10-/m1/s1.
What are the key properties of ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate?
ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate has a molecular weight of 258.32 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate is sourced from PubChem (CID 124777783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).