1-(2-methoxyacetyl)piperidine-4-carboxylic acid

C9H15NO4 — CID 16774004

IUPAC1-(2-methoxyacetyl)piperidine-4-carboxylic acid
SMILESCOCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO4/c1-14-6-8(11)10-4-2-7(3-5-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyGRBKUNDIHRGCFY-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.04
Rot. Bonds3

About 1-(2-methoxyacetyl)piperidine-4-carboxylic acid

1-(2-methoxyacetyl)piperidine-4-carboxylic acid (PubChem CID 16774004) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyacetyl)piperidine-4-carboxylic acid
PubChem CID16774004
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(2-methoxyacetyl)piperidine-4-carboxylic acid
SMILESCOCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO4/c1-14-6-8(11)10-4-2-7(3-5-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyGRBKUNDIHRGCFY-UHFFFAOYSA-N
XLogP-0.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
CID 5185709
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
Methyl 1-[ethoxy(oxo)acetyl]-4-piperidinecarboxylate
CID 2162118
1-[(2-Methylpropoxy)carbonyl]piperidine-4-carboxylic acid
CID 23297951
Ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
CID 2162839
methyl (3S,4S)-1-(2-butan-2-yloxyacetyl)-3-methylpiperidine-4-carboxylate
CID 138036356
3-[(3,5-Dioxomorpholin-4-yl)methyl]pentanoic acid
CID 81065585
1-[2-(2,2,2-Trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 62032767
1-[2-(1,1,1-Trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid
CID 66274746
1-[2-(2,2-Difluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 82004808
1-[2-(4,4,4-Trifluorobutoxy)acetyl]piperidine-4-carboxylic acid
CID 82788846

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methoxyacetyl)piperidine-4-carboxylic acid (CID 16774004) is 1-(2-methoxyacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxyacetyl)piperidine-4-carboxylic acid is COCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-methoxyacetyl)piperidine-4-carboxylic acid?
The InChIKey is GRBKUNDIHRGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-6-8(11)10-4-2-7(3-5-10)9(12)13/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(2-methoxyacetyl)piperidine-4-carboxylic acid?
1-(2-methoxyacetyl)piperidine-4-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 16774004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).