methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate

C12H19N3O3 — CID 75431714

IUPACmethyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)N(C)C(C)C
InChIInChI=1S/C12H19N3O3/c1-7(2)15(4)12(17)14-9-6-8(3)13-10(9)11(16)18-5/h6-7,13H,1-5H3,(H,14,17)
InChIKeyYUVCZVWZHGGGAV-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.98
Rot. Bonds3

About methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate

methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate (PubChem CID 75431714) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate
PubChem CID75431714
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)N(C)C(C)C
InChIInChI=1S/C12H19N3O3/c1-7(2)15(4)12(17)14-9-6-8(3)13-10(9)11(16)18-5/h6-7,13H,1-5H3,(H,14,17)
InChIKeyYUVCZVWZHGGGAV-UHFFFAOYSA-N
XLogP1.98
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-[(1S)-1-aminoethyl]benzoyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 167931555
methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 95979627
methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate
CID 166201187
methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 56785874
3-[[3-methoxypropyl(methyl)carbamoyl]amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 113483199
methyl 3-[(4-chloropyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 167947103
methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 166367632
4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 167783555
methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 167934437
methyl 3-cyano-5-methyl-1H-pyrrole-2-carboxylate
CID 10797098
methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate
CID 84597767
2,4-difluoro-5-[[methyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 61183363

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate (CID 75431714) is methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(C)cc1NC(=O)N(C)C(C)C.
What is the InChIKey of methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate?
The InChIKey is YUVCZVWZHGGGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7(2)15(4)12(17)14-9-6-8(3)13-10(9)11(16)18-5/h6-7,13H,1-5H3,(H,14,17).
What are the key properties of methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate?
methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 75431714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).