1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

C13H24N2O3 — CID 104597887

IUPAC1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCCCC1(C)C(=O)O)C(C)C
InChIInChI=1S/C13H24N2O3/c1-5-14(10(2)3)12(18)15-9-7-6-8-13(15,4)11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyRZIIBLDLFYIYGO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds3

About 1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597887) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104597887
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCCCC1(C)C(=O)O)C(C)C
InChIInChI=1S/C13H24N2O3/c1-5-14(10(2)3)12(18)15-9-7-6-8-13(15,4)11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyRZIIBLDLFYIYGO-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104597887) is 1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is CCN(C(=O)N1CCCCC1(C)C(=O)O)C(C)C.
What is the InChIKey of 1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is RZIIBLDLFYIYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-14(10(2)3)12(18)15-9-7-6-8-13(15,4)11(16)17/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).