ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate

C12H22N2O4 — CID 83103448

IUPACethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
SMILESCCOC(=O)CN1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C12H22N2O4/c1-4-18-11(15)7-14-5-6-17-8-10(14)12(16)13-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyNAMPERFTDCTEQC-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.23
Rot. Bonds5

About ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate

ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate (PubChem CID 83103448) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
PubChem CID83103448
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
SMILESCCOC(=O)CN1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C12H22N2O4/c1-4-18-11(15)7-14-5-6-17-8-10(14)12(16)13-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyNAMPERFTDCTEQC-UHFFFAOYSA-N
XLogP-0.23
TPSA67.87 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 ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-(2-cyclopentyl-2-oxoethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104751052
4-[2-oxo-2-(oxolan-3-yl)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 104751051
4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103304
potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104637
methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 18597526
4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107446496
4-(6-hydrazinyl-6-oxohexyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105862
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098587
4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103891

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate?
The IUPAC name of ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate (CID 83103448) is ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate?
The canonical SMILES for ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate is CCOC(=O)CN1CCOCC1C(=O)NC(C)C.
What is the InChIKey of ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate?
The InChIKey is NAMPERFTDCTEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-18-11(15)7-14-5-6-17-8-10(14)12(16)13-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate?
ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate has a molecular weight of 258.32 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate is sourced from PubChem (CID 83103448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).