methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate

C16H23N3O5 — CID 94661382

IUPACmethyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)N[C@@H](C)CN2CCCC2=O)oc1C
InChIInChI=1S/C16H23N3O5/c1-10(9-19-6-4-5-14(19)20)18-16(22)17-8-12-7-13(11(2)24-12)15(21)23-3/h7,10H,4-6,8-9H2,1-3H3,(H2,17,18,22)/t10-/m0/s1
InChIKeyDUXPNJYPIYSMKL-JTQLQIEISA-N
MW337.38 g/mol
LogP1.18
Rot. Bonds6

About methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate (PubChem CID 94661382) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate
PubChem CID94661382
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Namemethyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)N[C@@H](C)CN2CCCC2=O)oc1C
InChIInChI=1S/C16H23N3O5/c1-10(9-19-6-4-5-14(19)20)18-16(22)17-8-12-7-13(11(2)24-12)15(21)23-3/h7,10H,4-6,8-9H2,1-3H3,(H2,17,18,22)/t10-/m0/s1
InChIKeyDUXPNJYPIYSMKL-JTQLQIEISA-N
XLogP1.18
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate
CID 51081982
methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate
CID 60931463
2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61197084
methyl 2-methyl-5-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]furan-3-carboxylate;hydroiodide
CID 111124962
methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate
CID 43779505
methyl 2-methyl-5-[[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]methyl]furan-3-carboxylate;hydroiodide
CID 119114419
methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477289
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 55933420
methyl 5-[[2-(azepan-1-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 60752171

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate (CID 94661382) is methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC(=O)N[C@@H](C)CN2CCCC2=O)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate?
The InChIKey is DUXPNJYPIYSMKL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H23N3O5/c1-10(9-19-6-4-5-14(19)20)18-16(22)17-8-12-7-13(11(2)24-12)15(21)23-3/h7,10H,4-6,8-9H2,1-3H3,(H2,17,18,22)/t10-/m0/s1.
What are the key properties of methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 94661382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).