methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate

C13H19N3O4 — CID 115533291

IUPACmethyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cc(N)cn2C)CCO1
InChIInChI=1S/C13H19N3O4/c1-15-7-9(14)5-11(15)13(18)16-3-4-20-10(8-16)6-12(17)19-2/h5,7,10H,3-4,6,8,14H2,1-2H3
InChIKeyHGRKELFSVHZMOZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.01
Rot. Bonds3

About methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate

methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate (PubChem CID 115533291) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate
PubChem CID115533291
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cc(N)cn2C)CCO1
InChIInChI=1S/C13H19N3O4/c1-15-7-9(14)5-11(15)13(18)16-3-4-20-10(8-16)6-12(17)19-2/h5,7,10H,3-4,6,8,14H2,1-2H3
InChIKeyHGRKELFSVHZMOZ-UHFFFAOYSA-N
XLogP0.01
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642026
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806162
methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884
methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate
CID 79807133
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
methyl 2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 115679286

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate (CID 115533291) is methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2cc(N)cn2C)CCO1.
What is the InChIKey of methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate?
The InChIKey is HGRKELFSVHZMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-15-7-9(14)5-11(15)13(18)16-3-4-20-10(8-16)6-12(17)19-2/h5,7,10H,3-4,6,8,14H2,1-2H3.
What are the key properties of methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate has a molecular weight of 281.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115533291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).