1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid

C9H17N3O3 — CID 83018966

IUPAC1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid
SMILESCN(C)NC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C9H17N3O3/c1-11(2)10-9(15)12-6-4-3-5-7(12)8(13)14/h7H,3-6H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyFYDALCFVSXVTLB-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.11
Rot. Bonds2

About 1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid

1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid (PubChem CID 83018966) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid
PubChem CID83018966
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid
SMILESCN(C)NC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C9H17N3O3/c1-11(2)10-9(15)12-6-4-3-5-7(12)8(13)14/h7H,3-6H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyFYDALCFVSXVTLB-UHFFFAOYSA-N
XLogP0.11
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid (CID 83018966) is 1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid is CN(C)NC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is FYDALCFVSXVTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-11(2)10-9(15)12-6-4-3-5-7(12)8(13)14/h7H,3-6H2,1-2H3,(H,10,15)(H,13,14).
What are the key properties of 1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid?
1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylaminocarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 83018966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).