ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate

C13H18N2O4 — CID 104855956

IUPACethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)[C@H]2CCCO2)c[nH]c1C
InChIInChI=1S/C13H18N2O4/c1-3-18-13(17)11-8(2)14-7-9(11)15-12(16)10-5-4-6-19-10/h7,10,14H,3-6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyAUHVZRTWOPMGSJ-SNVBAGLBSA-N
MW266.30 g/mol
LogP1.62
Rot. Bonds4

About ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate

ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate (PubChem CID 104855956) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate
PubChem CID104855956
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)[C@H]2CCCO2)c[nH]c1C
InChIInChI=1S/C13H18N2O4/c1-3-18-13(17)11-8(2)14-7-9(11)15-12(16)10-5-4-6-19-10/h7,10,14H,3-6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyAUHVZRTWOPMGSJ-SNVBAGLBSA-N
XLogP1.62
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-carbamoyl-4-methyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
CID 2932484
ethyl 5-carbamoyl-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]thiophene-3-carboxylate
CID 897989
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
ethyl 4-(4-fluorophenyl)-2-[[(2R)-oxolane-2-carbonyl]amino]thiophene-3-carboxylate
CID 1072714
ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate
CID 1221817
ethyl 4-(4-chlorophenyl)-2-[[(2R)-oxolane-2-carbonyl]amino]thiophene-3-carboxylate
CID 1147024
ethyl [4-[[2-(oxolane-2-carbonylamino)phenyl]carbamoyl]phenyl] carbonate
CID 108931010
(2S)-N-ethoxyoxolane-2-carboxamide
CID 103872070
ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate
CID 27161050
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
CID 5305676
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate (CID 104855956) is ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)c[nH]c1C.
What is the InChIKey of ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate?
The InChIKey is AUHVZRTWOPMGSJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-13(17)11-8(2)14-7-9(11)15-12(16)10-5-4-6-19-10/h7,10,14H,3-6H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate?
ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 104855956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).