2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid

C8H13NO4 — CID 66563754

IUPAC2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
SMILESCC(=O)N1CC[C@H](OCC(=O)O)C1
InChIInChI=1S/C8H13NO4/c1-6(10)9-3-2-7(4-9)13-5-8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyHMVBDZPPRBAMQR-ZETCQYMHSA-N
MW187.19 g/mol
LogP-0.29
Rot. Bonds3

About 2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid

2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid (PubChem CID 66563754) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
PubChem CID66563754
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
SMILESCC(=O)N1CC[C@H](OCC(=O)O)C1
InChIInChI=1S/C8H13NO4/c1-6(10)9-3-2-7(4-9)13-5-8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyHMVBDZPPRBAMQR-ZETCQYMHSA-N
XLogP-0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid
CID 66563759
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid
CID 96551850
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
CID 82851206
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
1-(3-methylsulfanyloxypyrrolidin-1-yl)ethanone
CID 130400151
[(3R)-1-acetylpyrrolidin-3-yl] carbamate
CID 89323069

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid (CID 66563754) is 2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid is CC(=O)N1CC[C@H](OCC(=O)O)C1.
What is the InChIKey of 2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid?
The InChIKey is HMVBDZPPRBAMQR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO4/c1-6(10)9-3-2-7(4-9)13-5-8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of 2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid?
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid is sourced from PubChem (CID 66563754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).