methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate

C17H26N2O5 — CID 42675885

IUPACmethyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOCC(=O)N(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)C(C)C
InChIInChI=1S/C17H26N2O5/c1-10(2)19(14(21)9-23-6)8-13(20)15-11(3)16(17(22)24-7)18(5)12(15)4/h10H,8-9H2,1-7H3
InChIKeyIXWIXDNEDKYZQN-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.49
Rot. Bonds7

About methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate

methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 42675885) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID42675885
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Namemethyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOCC(=O)N(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)C(C)C
InChIInChI=1S/C17H26N2O5/c1-10(2)19(14(21)9-23-6)8-13(20)15-11(3)16(17(22)24-7)18(5)12(15)4/h10H,8-9H2,1-7H3
InChIKeyIXWIXDNEDKYZQN-UHFFFAOYSA-N
XLogP1.49
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-[cyclohexyl-(2-methoxyacetyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42676928
ethyl 1,3,5-trimethyl-4-[2-[propan-2-yl(propan-2-ylcarbamoyl)amino]acetyl]pyrrole-2-carboxylate
CID 42671223
methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675840
methyl 4-[2-[2-methoxyethyl(3-methylbutanoyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42822935
dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate
CID 10036603
methyl 1-ethyl-4-[2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42666706
methyl 4-[2-[ethylsulfonyl(prop-2-enyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42823191
methyl 1-ethyl-4-[2-[(2-methoxyacetyl)-(3-methylbutyl)amino]acetyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42666742
methyl 4-[2-[ethylcarbamoyl(3-methoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677063
methyl 4-[(2S)-2-[acetyl(propyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144441
ethyl 4-[2-[1,3-benzodioxole-5-carbonyl(propan-2-yl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42666675
methyl 1,3,5-trimethyl-4-[(2R)-2-[3-methylbutyl(propanoyl)amino]propanoyl]pyrrole-2-carboxylate
CID 93144557

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 42675885) is methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate is COCC(=O)N(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)C(C)C.
What is the InChIKey of methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is IXWIXDNEDKYZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-10(2)19(14(21)9-23-6)8-13(20)15-11(3)16(17(22)24-7)18(5)12(15)4/h10H,8-9H2,1-7H3.
What are the key properties of methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 338.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 42675885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).