3-(2-carboxyacetyl)piperidine-1-carboxylic acid

C9H13NO5 — CID 53443980

IUPAC3-(2-carboxyacetyl)piperidine-1-carboxylic acid
SMILESO=C(O)CC(=O)C1CCCN(C(=O)O)C1
InChIInChI=1S/C9H13NO5/c11-7(4-8(12)13)6-2-1-3-10(5-6)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15)
InChIKeyIWDABEUSMIOXEG-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.42
Rot. Bonds3

About 3-(2-carboxyacetyl)piperidine-1-carboxylic acid

3-(2-carboxyacetyl)piperidine-1-carboxylic acid (PubChem CID 53443980) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-(2-carboxyacetyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-carboxyacetyl)piperidine-1-carboxylic acid
PubChem CID53443980
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3-(2-carboxyacetyl)piperidine-1-carboxylic acid
SMILESO=C(O)CC(=O)C1CCCN(C(=O)O)C1
InChIInChI=1S/C9H13NO5/c11-7(4-8(12)13)6-2-1-3-10(5-6)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15)
InChIKeyIWDABEUSMIOXEG-UHFFFAOYSA-N
XLogP0.42
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-carbonochloridoylpiperidine-1-carboxylic acid
CID 87707523
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
(3R)-3-(cyclohexylamino)piperidine-1-carboxylic acid
CID 68661844
oxalic acid;piperidine-1-carboxylic acid
CID 158853542
3-methylpiperidine-1-carboxylic acid
CID 22047728
3-(2,2-dicyano-1-methoxyethenyl)piperidine-1-carboxylic acid
CID 87886377
3-hydrazinylpiperidine-1-carboxylic acid
CID 126736285
3-sulfanylpiperidine-1-carboxylic acid
CID 91332404
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
3-(bromomethyl)piperidine-1-carboxylic acid
CID 57165302
(3R)-3-(cyclopentylamino)piperidine-1-carboxylic acid
CID 69317437
pyrrolidine-1,3-dicarboxylic acid
CID 22258620

Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyacetyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(2-carboxyacetyl)piperidine-1-carboxylic acid (CID 53443980) is 3-(2-carboxyacetyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-carboxyacetyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(2-carboxyacetyl)piperidine-1-carboxylic acid is O=C(O)CC(=O)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-(2-carboxyacetyl)piperidine-1-carboxylic acid?
The InChIKey is IWDABEUSMIOXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c11-7(4-8(12)13)6-2-1-3-10(5-6)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15).
What are the key properties of 3-(2-carboxyacetyl)piperidine-1-carboxylic acid?
3-(2-carboxyacetyl)piperidine-1-carboxylic acid has a molecular weight of 215.20 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyacetyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 53443980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).