2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid

C7H13NO2 — CID 121313483

IUPAC2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid
SMILESCC1C[C@@H](CC(=O)O)CN1
InChIInChI=1S/C7H13NO2/c1-5-2-6(4-8-5)3-7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5?,6-/m0/s1
InChIKeyKWMUNJBQKNUYKO-GDVGLLTNSA-N
MW143.19 g/mol
LogP0.46
Rot. Bonds2

About 2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid

2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid (PubChem CID 121313483) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid
PubChem CID121313483
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid
SMILESCC1C[C@@H](CC(=O)O)CN1
InChIInChI=1S/C7H13NO2/c1-5-2-6(4-8-5)3-7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5?,6-/m0/s1
InChIKeyKWMUNJBQKNUYKO-GDVGLLTNSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid (CID 121313483) is 2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid is CC1C[C@@H](CC(=O)O)CN1.
What is the InChIKey of 2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid?
The InChIKey is KWMUNJBQKNUYKO-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-2-6(4-8-5)3-7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5?,6-/m0/s1.
What are the key properties of 2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid?
2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid has a molecular weight of 143.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 121313483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).