2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

C17H24N2O3 — CID 651520

IUPAC2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)OCC(C)C)c1
InChIInChI=1S/C17H24N2O3/c1-12(2)11-22-17(21)19-9-5-8-15(19)16(20)18-14-7-4-6-13(3)10-14/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyFSPUSFZXAIPEJO-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.19
Rot. Bonds4

About 2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 651520) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID651520
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)OCC(C)C)c1
InChIInChI=1S/C17H24N2O3/c1-12(2)11-22-17(21)19-9-5-8-15(19)16(20)18-14-7-4-6-13(3)10-14/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyFSPUSFZXAIPEJO-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 651520) is 2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is Cc1cccc(NC(=O)C2CCCN2C(=O)OCC(C)C)c1.
What is the InChIKey of 2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is FSPUSFZXAIPEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)11-22-17(21)19-9-5-8-15(19)16(20)18-14-7-4-6-13(3)10-14/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3,(H,18,20).
What are the key properties of 2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 651520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).