2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid

C8H15NO3 — CID 96885381

IUPAC2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid
SMILESCN1CC[C@H](COCC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-9-3-2-7(4-9)5-12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyHUQIWINFUYRJEN-ZETCQYMHSA-N
MW173.21 g/mol
LogP0.04
Rot. Bonds4

About 2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid

2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid (PubChem CID 96885381) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid
PubChem CID96885381
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid
SMILESCN1CC[C@H](COCC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-9-3-2-7(4-9)5-12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyHUQIWINFUYRJEN-ZETCQYMHSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid (CID 96885381) is 2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid is CN1CC[C@H](COCC(=O)O)C1.
What is the InChIKey of 2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid?
The InChIKey is HUQIWINFUYRJEN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-3-2-7(4-9)5-12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of 2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid?
2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]acetic acid is sourced from PubChem (CID 96885381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).