methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate

C14H17N3O3 — CID 58357323

IUPACmethyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(CC(=O)c2cc(N)cn2C)cn1C
InChIInChI=1S/C14H17N3O3/c1-16-7-9(4-12(16)14(19)20-3)5-13(18)11-6-10(15)8-17(11)2/h4,6-8H,5,15H2,1-3H3
InChIKeyYFMISHTUVOHLCB-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.16
Rot. Bonds4

About methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate

methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate (PubChem CID 58357323) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate
PubChem CID58357323
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(CC(=O)c2cc(N)cn2C)cn1C
InChIInChI=1S/C14H17N3O3/c1-16-7-9(4-12(16)14(19)20-3)5-13(18)11-6-10(15)8-17(11)2/h4,6-8H,5,15H2,1-3H3
InChIKeyYFMISHTUVOHLCB-UHFFFAOYSA-N
XLogP1.16
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methoxycarbonyl-1-methylpyrrol-3-yl)acetic acid
CID 83670551
methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 157051092
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
tert-butyl 4-amino-1-methylpyrrole-2-carboxylate
CID 45089376
methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate
CID 170888773
(3-methoxy-2,2-dimethyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 79620796
methyl 4-[[4-[2-[4-[[4-(6-bromohexanoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 158605579
tert-butyl N-[4-[5-(2-hydroxyacetyl)-1-methylpyrrol-3-yl]phenyl]carbamate;methyl 4-(4-aminophenyl)-1-methylpyrrole-2-carboxylate;methyl 4-[4-[2-[4-(4-aminophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]phenyl]-1-methylpyrrole-2-carboxylate
CID 158682932
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 126639866
(4-chloro-2-fluorophenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 114857719
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate (CID 58357323) is methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(CC(=O)c2cc(N)cn2C)cn1C.
What is the InChIKey of methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is YFMISHTUVOHLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16-7-9(4-12(16)14(19)20-3)5-13(18)11-6-10(15)8-17(11)2/h4,6-8H,5,15H2,1-3H3.
What are the key properties of methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 58357323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).