methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate

C14H20N2O4 — CID 97065048

IUPACmethyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)N[C@]2(C)CCOC2)c1C
InChIInChI=1S/C14H20N2O4/c1-8-10(13(18)19-4)9(2)15-11(8)12(17)16-14(3)5-6-20-7-14/h15H,5-7H2,1-4H3,(H,16,17)/t14-/m1/s1
InChIKeySIJGDYPPPWTVER-CQSZACIVSA-N
MW280.32 g/mol
LogP1.33
Rot. Bonds3

About methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 97065048) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID97065048
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)N[C@]2(C)CCOC2)c1C
InChIInChI=1S/C14H20N2O4/c1-8-10(13(18)19-4)9(2)15-11(8)12(17)16-14(3)5-6-20-7-14/h15H,5-7H2,1-4H3,(H,16,17)/t14-/m1/s1
InChIKeySIJGDYPPPWTVER-CQSZACIVSA-N
XLogP1.33
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(1,1-dioxothiolan-3-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17426023
methyl 2,4-dimethyl-5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 18105528
methyl 5-(4-methoxy-3,4-dioxobutanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 99110372
methyl 5-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55335094
methyl 2,4-dimethyl-5-(2-morpholin-4-ylpropanoyl)-1H-pyrrole-3-carboxylate
CID 17399381
methyl 5-[[(1S)-1-cyclopropylethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 32891650
2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55759497
methyl 5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17417939
methyl 5-[(4-chloro-2-methylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26114629
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
methyl 5-[(4-acetylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8934063
methyl 5-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17432796

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate (CID 97065048) is methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)N[C@]2(C)CCOC2)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is SIJGDYPPPWTVER-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8-10(13(18)19-4)9(2)15-11(8)12(17)16-14(3)5-6-20-7-14/h15H,5-7H2,1-4H3,(H,16,17)/t14-/m1/s1.
What are the key properties of methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[[(3R)-3-methyloxolan-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 97065048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).