methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate

C15H30N2O2 — CID 55162522

IUPACmethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(C)(CCN1CCCC1(C)C)NC(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)16-15(5,13(18)19-6)9-11-17-10-7-8-14(17,3)4/h12,16H,7-11H2,1-6H3
InChIKeyBUPWMMOXUHNDFO-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds6

About methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate

methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate (PubChem CID 55162522) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate
PubChem CID55162522
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(C)(CCN1CCCC1(C)C)NC(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)16-15(5,13(18)19-6)9-11-17-10-7-8-14(17,3)4/h12,16H,7-11H2,1-6H3
InChIKeyBUPWMMOXUHNDFO-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate (CID 55162522) is methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate is COC(=O)C(C)(CCN1CCCC1(C)C)NC(C)C.
What is the InChIKey of methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate?
The InChIKey is BUPWMMOXUHNDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)16-15(5,13(18)19-6)9-11-17-10-7-8-14(17,3)4/h12,16H,7-11H2,1-6H3.
What are the key properties of methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate?
methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 55162522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).