2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid

C12H21NO4 — CID 20737920

IUPAC2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid
SMILESCC(C)OCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-9(2)17-8-11(14)13-5-3-10(4-6-13)7-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyRMZKTOASPMWSQK-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.12
Rot. Bonds5

About 2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid

2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid (PubChem CID 20737920) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid
PubChem CID20737920
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid
SMILESCC(C)OCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-9(2)17-8-11(14)13-5-3-10(4-6-13)7-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyRMZKTOASPMWSQK-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(ethoxyacetyl)-3-piperidinecarboxylate
CID 2947372
5-(2,6-Dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 6466741
Methyl 1-(tetrahydrofuran-2-carbonyl)piperidine-4-carboxylate
CID 3564169
3-[1-(Oxolane-2-carbonyl)piperidin-3-yl]propanoic acid
CID 61707077
6-(2-Ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175136
3-[1-(2-Cycloheptyloxypropanoyl)piperidin-3-yl]propanoic acid
CID 120247475
3,3-dimethyl-5-oxo-5-[(6S)-2,2,6-trimethylmorpholin-4-yl]pentanoic acid
CID 124465189
ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate
CID 164634473
1-(2-Methoxypropanoyl)-2-methylpiperidine-3-carboxylic acid
CID 171359805
3-[(3,5-Dioxomorpholin-4-yl)methyl]pentanoic acid
CID 81065585
3-[(3S)-1-[(2R)-2-(3-methylbutoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 129414659
(3S,4R,5S)-4-ethyl-5-(morpholine-4-carbonyl)-2-oxooxolane-3-carboxylic acid;hydrate
CID 139117395

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid (CID 20737920) is 2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid is CC(C)OCC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid?
The InChIKey is RMZKTOASPMWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(2)17-8-11(14)13-5-3-10(4-6-13)7-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid?
2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 20737920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).