2-(1-methylpyrrolidin-2-yl)acetic acid

C7H13NO2 — CID 14021870

IUPAC2-(1-methylpyrrolidin-2-yl)acetic acid
SMILESCN1CCCC1CC(=O)O
InChIInChI=1S/C7H13NO2/c1-8-4-2-3-6(8)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyWQGHBXNTZFIOSX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.56
Rot. Bonds2

About 2-(1-methylpyrrolidin-2-yl)acetic acid

2-(1-methylpyrrolidin-2-yl)acetic acid (PubChem CID 14021870) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)acetic acid
PubChem CID14021870
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(1-methylpyrrolidin-2-yl)acetic acid
SMILESCN1CCCC1CC(=O)O
InChIInChI=1S/C7H13NO2/c1-8-4-2-3-6(8)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyWQGHBXNTZFIOSX-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)acetic acid (CID 14021870) is 2-(1-methylpyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)acetic acid is CN1CCCC1CC(=O)O.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)acetic acid?
The InChIKey is WQGHBXNTZFIOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-4-2-3-6(8)5-7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(1-methylpyrrolidin-2-yl)acetic acid?
2-(1-methylpyrrolidin-2-yl)acetic acid has a molecular weight of 143.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 14021870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).