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

C18H27N3O3 — CID 94695254

IUPACmethyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)N[C@@H]2CCN(C3CC3)C2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C18H27N3O3/c1-4-5-14-15(18(23)24-3)11(2)19-16(14)17(22)20-12-8-9-21(10-12)13-6-7-13/h12-13,19H,4-10H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyQPAUSWRAHHCJJJ-GFCCVEGCSA-N
MW333.43 g/mol
LogP2.03
Rot. Bonds6

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

methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (PubChem CID 94695254) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
PubChem CID94695254
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Namemethyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)N[C@@H]2CCN(C3CC3)C2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C18H27N3O3/c1-4-5-14-15(18(23)24-3)11(2)19-16(14)17(22)20-12-8-9-21(10-12)13-6-7-13/h12-13,19H,4-10H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyQPAUSWRAHHCJJJ-GFCCVEGCSA-N
XLogP2.03
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
CID 119388518
methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 60579760
methyl 2-methyl-5-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]-4-propyl-1H-pyrrole-3-carboxylate
CID 56557573
4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229808
methyl 5-(4-hydroxyhexylcarbamoyl)-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 71863554
methyl 2-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-4-propyl-1H-pyrrole-3-carboxylate
CID 55822442
methyl 2-methyl-5-[(4-piperidin-1-ylphenyl)carbamoyl]-4-propyl-1H-pyrrole-3-carboxylate
CID 55834868
4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55858740
2-methoxyethyl 2,4-dimethyl-5-[(1-propylsulfonylpiperidin-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55722013
methyl 5-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 75897233
2-methoxyethyl 5-(cyclopropylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46488566
methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 87016909

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (CID 94695254) is methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is CCCc1c(C(=O)N[C@@H]2CCN(C3CC3)C2)[nH]c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The InChIKey is QPAUSWRAHHCJJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-5-14-15(18(23)24-3)11(2)19-16(14)17(22)20-12-8-9-21(10-12)13-6-7-13/h12-13,19H,4-10H2,1-3H3,(H,20,22)/t12-/m1/s1.
What are the key properties of methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 94695254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).