2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid

C12H24N2O2 — CID 166651726

IUPAC2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)CC1(C(C)(C)C)CCCN1C(=O)O
InChIInChI=1S/C12H24N2O2/c1-11(2,3)12(9-13(4)5)7-6-8-14(12)10(15)16/h6-9H2,1-5H3,(H,15,16)
InChIKeyBRVCUSWRESHDGE-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.11
Rot. Bonds2

About 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid

2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid (PubChem CID 166651726) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
PubChem CID166651726
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)CC1(C(C)(C)C)CCCN1C(=O)O
InChIInChI=1S/C12H24N2O2/c1-11(2,3)12(9-13(4)5)7-6-8-14(12)10(15)16/h6-9H2,1-5H3,(H,15,16)
InChIKeyBRVCUSWRESHDGE-UHFFFAOYSA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid (CID 166651726) is 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid is CN(C)CC1(C(C)(C)C)CCCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is BRVCUSWRESHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)12(9-13(4)5)7-6-8-14(12)10(15)16/h6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 228.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 166651726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).