1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

C12H22N2O4 — CID 113431043

IUPAC1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(O)CN(C)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-9(15)8-13(3)11(18)14-7-5-4-6-12(14,2)10(16)17/h9,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyHQXKHAACSBMJHO-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.75
Rot. Bonds3

About 1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 113431043) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID113431043
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(O)CN(C)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-9(15)8-13(3)11(18)14-7-5-4-6-12(14,2)10(16)17/h9,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyHQXKHAACSBMJHO-UHFFFAOYSA-N
XLogP0.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597906
2-methyl-1-[methyl(2-propan-2-yloxyethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598372
2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
CID 113431022
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79863871
1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598109
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 104595515
2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598291
2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598346
2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
CID 115270713
1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597994

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 113431043) is 1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is CC(O)CN(C)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is HQXKHAACSBMJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(15)8-13(3)11(18)14-7-5-4-6-12(14,2)10(16)17/h9,15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 113431043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).