methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate

C13H24N2O3 — CID 54938793

IUPACmethyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)C1CCN(C)C1)C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-5-7-13(2,12(17)18-4)14-11(16)10-6-8-15(3)9-10/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyGTALDXQUOGRIAP-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds5

About methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate

methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate (PubChem CID 54938793) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate
PubChem CID54938793
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)C1CCN(C)C1)C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-5-7-13(2,12(17)18-4)14-11(16)10-6-8-15(3)9-10/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyGTALDXQUOGRIAP-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate (CID 54938793) is methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)C1CCN(C)C1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate?
The InChIKey is GTALDXQUOGRIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-7-13(2,12(17)18-4)14-11(16)10-6-8-15(3)9-10/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate has a molecular weight of 256.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate is sourced from PubChem (CID 54938793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).