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

C10H17NO4 — CID 96885372

IUPAC2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
SMILESCC(=O)N1CCC[C@@H](COCC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-8(12)11-4-2-3-9(5-11)6-15-7-10(13)14/h9H,2-7H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyBTLOULLHQHSEER-SECBINFHSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds4

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

2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid (PubChem CID 96885372) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
PubChem CID96885372
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
SMILESCC(=O)N1CCC[C@@H](COCC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-8(12)11-4-2-3-9(5-11)6-15-7-10(13)14/h9H,2-7H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyBTLOULLHQHSEER-SECBINFHSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid (CID 96885372) is 2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid is CC(=O)N1CCC[C@@H](COCC(=O)O)C1.
What is the InChIKey of 2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid?
The InChIKey is BTLOULLHQHSEER-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO4/c1-8(12)11-4-2-3-9(5-11)6-15-7-10(13)14/h9H,2-7H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of 2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid?
2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid is sourced from PubChem (CID 96885372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).