ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate

C15H22N2O5 — CID 164642629

IUPACethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC[C@H]2CCCO2)ccn1C
InChIInChI=1S/C15H22N2O5/c1-3-21-15(19)14-12(6-7-17(14)2)16-13(18)10-20-9-11-5-4-8-22-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyDJCSPWUMOCSCLR-LLVKDONJSA-N
MW310.35 g/mol
LogP1.34
Rot. Bonds7

About ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate

ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate (PubChem CID 164642629) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate
PubChem CID164642629
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nameethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC[C@H]2CCCO2)ccn1C
InChIInChI=1S/C15H22N2O5/c1-3-21-15(19)14-12(6-7-17(14)2)16-13(18)10-20-9-11-5-4-8-22-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyDJCSPWUMOCSCLR-LLVKDONJSA-N
XLogP1.34
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
CID 71852773
N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
CID 43376662
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56789769
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868489
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate (CID 164642629) is ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate is CCOC(=O)c1c(NC(=O)COC[C@H]2CCCO2)ccn1C.
What is the InChIKey of ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate?
The InChIKey is DJCSPWUMOCSCLR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-3-21-15(19)14-12(6-7-17(14)2)16-13(18)10-20-9-11-5-4-8-22-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18)/t11-/m1/s1.
What are the key properties of ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate?
ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate is sourced from PubChem (CID 164642629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).