1-(ethylcarbamoyl)piperidine-2-carboxylic acid

C9H16N2O3 — CID 22056667

IUPAC1-(ethylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCNC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C9H16N2O3/c1-2-10-9(14)11-6-4-3-5-7(11)8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyYHILQDSVTYZGCC-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.65
Rot. Bonds2

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

1-(ethylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 22056667) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(ethylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(ethylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID22056667
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(ethylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCNC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C9H16N2O3/c1-2-10-9(14)11-6-4-3-5-7(11)8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyYHILQDSVTYZGCC-UHFFFAOYSA-N
XLogP0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(ethylcarbamoyl)piperidine-2-carboxylic acid (CID 22056667) is 1-(ethylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(ethylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(ethylcarbamoyl)piperidine-2-carboxylic acid is CCNC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(ethylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is YHILQDSVTYZGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-10-9(14)11-6-4-3-5-7(11)8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 1-(ethylcarbamoyl)piperidine-2-carboxylic acid?
1-(ethylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 22056667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).