2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid

C11H19NO5 — CID 140984723

IUPAC2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid
SMILESCOC(=O)CCN1CCC(O)(CC(=O)O)CC1
InChIInChI=1S/C11H19NO5/c1-17-10(15)2-5-12-6-3-11(16,4-7-12)8-9(13)14/h16H,2-8H2,1H3,(H,13,14)
InChIKeySFCIZZUUZKNSKU-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.15
Rot. Bonds5

About 2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid

2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid (PubChem CID 140984723) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid
PubChem CID140984723
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid
SMILESCOC(=O)CCN1CCC(O)(CC(=O)O)CC1
InChIInChI=1S/C11H19NO5/c1-17-10(15)2-5-12-6-3-11(16,4-7-12)8-9(13)14/h16H,2-8H2,1H3,(H,13,14)
InChIKeySFCIZZUUZKNSKU-UHFFFAOYSA-N
XLogP-0.15
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid (CID 140984723) is 2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid is COC(=O)CCN1CCC(O)(CC(=O)O)CC1.
What is the InChIKey of 2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid?
The InChIKey is SFCIZZUUZKNSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-17-10(15)2-5-12-6-3-11(16,4-7-12)8-9(13)14/h16H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid?
2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid has a molecular weight of 245.27 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(3-methoxy-3-oxopropyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 140984723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).