methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate

C12H18N2O3 — CID 54979060

IUPACmethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccc(C)n1C
InChIInChI=1S/C12H18N2O3/c1-5-14(8-11(15)17-4)12(16)10-7-6-9(2)13(10)3/h6-7H,5,8H2,1-4H3
InChIKeyGFUCJAYFHPQWCG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.97
Rot. Bonds4

About methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate

methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate (PubChem CID 54979060) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate
PubChem CID54979060
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccc(C)n1C
InChIInChI=1S/C12H18N2O3/c1-5-14(8-11(15)17-4)12(16)10-7-6-9(2)13(10)3/h6-7H,5,8H2,1-4H3
InChIKeyGFUCJAYFHPQWCG-UHFFFAOYSA-N
XLogP0.97
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331339
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
CID 54979363
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid
CID 60831784
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
CID 106853790
methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 61383254
methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate
CID 166230172
methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate
CID 104624340

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate (CID 54979060) is methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)c1ccc(C)n1C.
What is the InChIKey of methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate?
The InChIKey is GFUCJAYFHPQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-14(8-11(15)17-4)12(16)10-7-6-9(2)13(10)3/h6-7H,5,8H2,1-4H3.
What are the key properties of methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate?
methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate has a molecular weight of 238.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 54979060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).