methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate

C20H26N4O7 — CID 143802179

IUPACmethyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(NC(=O)CCNC(=O)OC(C)(C)C)o2)cn1C
InChIInChI=1S/C20H26N4O7/c1-20(2,3)31-19(28)21-9-8-15(25)23-16-7-6-14(30-16)17(26)22-12-10-13(18(27)29-5)24(4)11-12/h6-7,10-11H,8-9H2,1-5H3,(H,21,28)(H,22,26)(H,23,25)
InChIKeyILBVKYLAIRCXEK-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.51
Rot. Bonds7

About methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate

methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate (PubChem CID 143802179) has the molecular formula C20H26N4O7 and a molecular weight of 434.45 g/mol. Its IUPAC name is methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate
PubChem CID143802179
Molecular FormulaC20H26N4O7
Molecular Weight434.45 g/mol
Exact Mass434.18
IUPAC Namemethyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(NC(=O)CCNC(=O)OC(C)(C)C)o2)cn1C
InChIInChI=1S/C20H26N4O7/c1-20(2,3)31-19(28)21-9-8-15(25)23-16-7-6-14(30-16)17(26)22-12-10-13(18(27)29-5)24(4)11-12/h6-7,10-11H,8-9H2,1-5H3,(H,21,28)(H,22,26)(H,23,25)
InChIKeyILBVKYLAIRCXEK-UHFFFAOYSA-N
XLogP2.51
TPSA140.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate with MolForge

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Related Compounds

tert-butyl N-[3-[[1-methyl-5-[[1-methyl-5-[3-[[1-methyl-4-[[1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-3-oxopropyl]carbamate;tert-butyl N-[1-methyl-5-[[1-methyl-5-[3-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamate
CID 159075818
tert-butyl N-[3-[(1-methyl-2-oxo-4-pyridinyl)amino]-3-oxopropyl]carbamate
CID 154760852
1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carboxylic acid
CID 166705177
tert-butyl N-[1-methyl-2-[[1-methyl-5-[[3-[[1-methyl-2-[[1-methyl-5-[[3-[[1-methyl-2-(propylcarbamoyl)imidazol-4-yl]amino]-3-oxopropyl]carbamoyl]pyrrol-3-yl]carbamoyl]imidazol-4-yl]amino]-3-oxopropyl]carbamoyl]pyrrol-3-yl]carbamoyl]imidazol-4-yl]carbamate
CID 166694349
tert-butyl N-[1-methyl-2-[[1-methyl-5-[[3-[[1-methyl-2-(propylcarbamoyl)imidazol-4-yl]amino]-3-oxopropyl]carbamoyl]pyrrol-3-yl]carbamoyl]imidazol-4-yl]carbamate
CID 175402456
tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate
CID 42014589
ethyl 1-methyl-4-[[4-[[1-methyl-4-[[1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]imidazole-2-carbonyl]amino]pyrrol-2-yl]amino]-4-oxobutanoyl]amino]imidazole-2-carboxylate
CID 167441264
tert-butyl N-[2-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]ethyl]carbamate
CID 67389280
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
CID 38207855
methyl 1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 163403961
tert-butyl N-[3-[4-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919818
tert-butyl N-[3-[4-[[(3,5-dihydroxybenzoyl)amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920616

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate (CID 143802179) is methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate is COC(=O)c1cc(NC(=O)c2ccc(NC(=O)CCNC(=O)OC(C)(C)C)o2)cn1C.
What is the InChIKey of methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate?
The InChIKey is ILBVKYLAIRCXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O7/c1-20(2,3)31-19(28)21-9-8-15(25)23-16-7-6-14(30-16)17(26)22-12-10-13(18(27)29-5)24(4)11-12/h6-7,10-11H,8-9H2,1-5H3,(H,21,28)(H,22,26)(H,23,25).
What are the key properties of methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate?
methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate has a molecular weight of 434.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate is sourced from PubChem (CID 143802179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).