ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid

C10H20N2O3 — CID 143541781

IUPACethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC.CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C8H14N2O3.C2H6/c1-9-8(13)10-4-2-6(3-5-10)7(11)12;1-2/h6H,2-5H2,1H3,(H,9,13)(H,11,12);1-2H3
InChIKeyMLDHAHZCUMPMCN-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.15
Rot. Bonds1

About ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid

ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 143541781) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID143541781
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC.CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C8H14N2O3.C2H6/c1-9-8(13)10-4-2-6(3-5-10)7(11)12;1-2/h6H,2-5H2,1H3,(H,9,13)(H,11,12);1-2H3
InChIKeyMLDHAHZCUMPMCN-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid (CID 143541781) is ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid is CC.CNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is MLDHAHZCUMPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3.C2H6/c1-9-8(13)10-4-2-6(3-5-10)7(11)12;1-2/h6H,2-5H2,1H3,(H,9,13)(H,11,12);1-2H3.
What are the key properties of ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid?
ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 143541781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).