2-methyl-2-pyrrolidin-1-ylpropanoic acid

C8H15NO2 — CID 22311931

IUPAC2-methyl-2-pyrrolidin-1-ylpropanoic acid
SMILESCC(C)(C(=O)O)N1CCCC1
InChIInChI=1S/C8H15NO2/c1-8(2,7(10)11)9-5-3-4-6-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyKBRCMVKZAFOGMG-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.95
Rot. Bonds2

About 2-methyl-2-pyrrolidin-1-ylpropanoic acid

2-methyl-2-pyrrolidin-1-ylpropanoic acid (PubChem CID 22311931) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-ylpropanoic acid
PubChem CID22311931
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methyl-2-pyrrolidin-1-ylpropanoic acid
SMILESCC(C)(C(=O)O)N1CCCC1
InChIInChI=1S/C8H15NO2/c1-8(2,7(10)11)9-5-3-4-6-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyKBRCMVKZAFOGMG-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2-methyl-2-pyrrolidin-1-ylpropanoic acid (CID 22311931) is 2-methyl-2-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-ylpropanoic acid is CC(C)(C(=O)O)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-ylpropanoic acid?
The InChIKey is KBRCMVKZAFOGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,7(10)11)9-5-3-4-6-9/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-2-pyrrolidin-1-ylpropanoic acid?
2-methyl-2-pyrrolidin-1-ylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 22311931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).