2-(1-methylpyrrolidin-3-yl)acetic acid

C7H13NO2 — CID 19362950

IUPAC2-(1-methylpyrrolidin-3-yl)acetic acid
SMILESCN1CCC(CC(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-8-3-2-6(5-8)4-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyGXZULSXLGWEQFS-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.41
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)acetic acid

2-(1-methylpyrrolidin-3-yl)acetic acid (PubChem CID 19362950) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)acetic acid
PubChem CID19362950
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(1-methylpyrrolidin-3-yl)acetic acid
SMILESCN1CCC(CC(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-8-3-2-6(5-8)4-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyGXZULSXLGWEQFS-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 84766894
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
CID 66563768
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
N-methyl-2-(1-methylpyrrolidin-3-yl)acetohydrazide
CID 116844900
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606181
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)acetic acid (CID 19362950) is 2-(1-methylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)acetic acid is CN1CCC(CC(=O)O)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)acetic acid?
The InChIKey is GXZULSXLGWEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-3-2-6(5-8)4-7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(1-methylpyrrolidin-3-yl)acetic acid?
2-(1-methylpyrrolidin-3-yl)acetic acid has a molecular weight of 143.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 19362950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).