methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate

C13H19N3O4 — CID 62013128

IUPACmethyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate
SMILESCCN(CC(=O)NC(=O)c1cccn1C)CC(=O)OC
InChIInChI=1S/C13H19N3O4/c1-4-16(9-12(18)20-3)8-11(17)14-13(19)10-6-5-7-15(10)2/h5-7H,4,8-9H2,1-3H3,(H,14,17,19)
InChIKeyXPFPQLACDWITNP-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.22
Rot. Bonds6

About methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate

methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate (PubChem CID 62013128) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate
PubChem CID62013128
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate
SMILESCCN(CC(=O)NC(=O)c1cccn1C)CC(=O)OC
InChIInChI=1S/C13H19N3O4/c1-4-16(9-12(18)20-3)8-11(17)14-13(19)10-6-5-7-15(10)2/h5-7H,4,8-9H2,1-3H3,(H,14,17,19)
InChIKeyXPFPQLACDWITNP-UHFFFAOYSA-N
XLogP-0.22
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate (CID 62013128) is methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate is CCN(CC(=O)NC(=O)c1cccn1C)CC(=O)OC.
What is the InChIKey of methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate?
The InChIKey is XPFPQLACDWITNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-16(9-12(18)20-3)8-11(17)14-13(19)10-6-5-7-15(10)2/h5-7H,4,8-9H2,1-3H3,(H,14,17,19).
What are the key properties of methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate?
methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate has a molecular weight of 281.31 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 62013128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).