methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate

C17H26N2O4 — CID 94815157

IUPACmethyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)N(CC)C[C@H]2CCOC2)c(C)c1C(=O)OC
InChIInChI=1S/C17H26N2O4/c1-5-13-14(17(21)22-4)11(3)15(18-13)16(20)19(6-2)9-12-7-8-23-10-12/h12,18H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyCQCNJFOLZIDEJC-GFCCVEGCSA-N
MW322.41 g/mol
LogP2.17
Rot. Bonds6

About methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate

methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 94815157) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID94815157
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Namemethyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)N(CC)C[C@H]2CCOC2)c(C)c1C(=O)OC
InChIInChI=1S/C17H26N2O4/c1-5-13-14(17(21)22-4)11(3)15(18-13)16(20)19(6-2)9-12-7-8-23-10-12/h12,18H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyCQCNJFOLZIDEJC-GFCCVEGCSA-N
XLogP2.17
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 2-ethyl-5-[ethyl(2-methylprop-2-enyl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31832696
methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 36679757
methyl 5-[[(S)-cyano-[(3R)-oxolan-3-yl]methyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 94824535
methyl 5-[[(R)-cyano-[(3R)-oxolan-3-yl]methyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 94824534
4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080957
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 47123246
methyl 5-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 46559038
N-ethyl-4,5-dimethoxy-2-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94799727
N-ethyl-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1,3-dihydroimidazole-4-carboxamide
CID 95275267
methyl 5-(1-cyclopropylethylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 47123942
methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 31284498

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate (CID 94815157) is methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)N(CC)C[C@H]2CCOC2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is CQCNJFOLZIDEJC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-13-14(17(21)22-4)11(3)15(18-13)16(20)19(6-2)9-12-7-8-23-10-12/h12,18H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 94815157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).