2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid

C9H15NO4 — CID 96551850

IUPAC2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid
SMILESCC(=O)N1CC[C@@H](COCC(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-7(11)10-3-2-8(4-10)5-14-6-9(12)13/h8H,2-6H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyBJFXMRHEZHYWPX-MRVPVSSYSA-N
MW201.22 g/mol
LogP-0.04
Rot. Bonds4

About 2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid

2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid (PubChem CID 96551850) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid
PubChem CID96551850
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid
SMILESCC(=O)N1CC[C@@H](COCC(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-7(11)10-3-2-8(4-10)5-14-6-9(12)13/h8H,2-6H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyBJFXMRHEZHYWPX-MRVPVSSYSA-N
XLogP-0.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
CID 96885372
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
CID 66563768
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid
CID 162750163
(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate
CID 142766919
2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96553143
1-[3-(2-chloroethyl)pyrrolidin-1-yl]ethanone
CID 114801099
2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
CID 18396255
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
CID 165496688

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid (CID 96551850) is 2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid is CC(=O)N1CC[C@@H](COCC(=O)O)C1.
What is the InChIKey of 2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid?
The InChIKey is BJFXMRHEZHYWPX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-7(11)10-3-2-8(4-10)5-14-6-9(12)13/h8H,2-6H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of 2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid?
2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid has a molecular weight of 201.22 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-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid is sourced from PubChem (CID 96551850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).