methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate

C13H26N2O2 — CID 64702799

IUPACmethyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)N1CCCC1(C)C
InChIInChI=1S/C13H26N2O2/c1-10(9-13(4,14)11(16)17-5)15-8-6-7-12(15,2)3/h10H,6-9,14H2,1-5H3
InChIKeyYJLIFVXQGXJASU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate

methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate (PubChem CID 64702799) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
PubChem CID64702799
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)N1CCCC1(C)C
InChIInChI=1S/C13H26N2O2/c1-10(9-13(4,14)11(16)17-5)15-8-6-7-12(15,2)3/h10H,6-9,14H2,1-5H3
InChIKeyYJLIFVXQGXJASU-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate?
The IUPAC name of methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate (CID 64702799) is methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate is COC(=O)C(C)(N)CC(C)N1CCCC1(C)C.
What is the InChIKey of methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate?
The InChIKey is YJLIFVXQGXJASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(9-13(4,14)11(16)17-5)15-8-6-7-12(15,2)3/h10H,6-9,14H2,1-5H3.
What are the key properties of methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate?
methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate has a molecular weight of 242.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate is sourced from PubChem (CID 64702799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).