3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid

C11H22N2O2 — CID 107321408

IUPAC3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCC(C(C)C)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-4-9(8(2)3)13-6-5-11(12,7-13)10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15)
InChIKeyVXUNURVORCBOKK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.91
Rot. Bonds4

About 3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107321408) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID107321408
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCC(C(C)C)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-4-9(8(2)3)13-6-5-11(12,7-13)10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15)
InChIKeyVXUNURVORCBOKK-UHFFFAOYSA-N
XLogP0.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid (CID 107321408) is 3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid is CCC(C(C)C)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is VXUNURVORCBOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-9(8(2)3)13-6-5-11(12,7-13)10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107321408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).