2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid

C10H17NO5 — CID 114678072

IUPAC2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid
SMILESCC1CN(C(=O)COCC(=O)O)CCC1O
InChIInChI=1S/C10H17NO5/c1-7-4-11(3-2-8(7)12)9(13)5-16-6-10(14)15/h7-8,12H,2-6H2,1H3,(H,14,15)
InChIKeyCMTVKCBAYLMFRT-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.68
Rot. Bonds4

About 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid

2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid (PubChem CID 114678072) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid
PubChem CID114678072
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid
SMILESCC1CN(C(=O)COCC(=O)O)CCC1O
InChIInChI=1S/C10H17NO5/c1-7-4-11(3-2-8(7)12)9(13)5-16-6-10(14)15/h7-8,12H,2-6H2,1H3,(H,14,15)
InChIKeyCMTVKCBAYLMFRT-UHFFFAOYSA-N
XLogP-0.68
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380940
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-sulfanylethanone
CID 114683823
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102656658
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416
2-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659203
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 114680112
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 114679928
1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one
CID 114501502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid (CID 114678072) is 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid is CC1CN(C(=O)COCC(=O)O)CCC1O.
What is the InChIKey of 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid?
The InChIKey is CMTVKCBAYLMFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-7-4-11(3-2-8(7)12)9(13)5-16-6-10(14)15/h7-8,12H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid?
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 114678072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).