ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate

C11H21N3O4 — CID 78942696

IUPACethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC1CN(C)CCO1
InChIInChI=1S/C11H21N3O4/c1-3-17-10(15)7-13-11(16)12-6-9-8-14(2)4-5-18-9/h9H,3-8H2,1-2H3,(H2,12,13,16)
InChIKeyFCEGETVMWFWUDM-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.82
Rot. Bonds5

About ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate

ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate (PubChem CID 78942696) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
PubChem CID78942696
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Nameethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC1CN(C)CCO1
InChIInChI=1S/C11H21N3O4/c1-3-17-10(15)7-13-11(16)12-6-9-8-14(2)4-5-18-9/h9H,3-8H2,1-2H3,(H2,12,13,16)
InChIKeyFCEGETVMWFWUDM-UHFFFAOYSA-N
XLogP-0.82
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
2-amino-N-[2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 79082878
1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482
2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79082924
(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 114007613
2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 79071785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate (CID 78942696) is ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCC1CN(C)CCO1.
What is the InChIKey of ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate?
The InChIKey is FCEGETVMWFWUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-17-10(15)7-13-11(16)12-6-9-8-14(2)4-5-18-9/h9H,3-8H2,1-2H3,(H2,12,13,16).
What are the key properties of ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate?
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate has a molecular weight of 259.31 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate is sourced from PubChem (CID 78942696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).