1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

C12H22N2O4 — CID 114425523

IUPAC1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC(O)CN(C)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8-4-5-14(10(6-8)11(16)17)12(18)13(3)7-9(2)15/h8-10,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyOSPRONYKQDJVHI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.60
Rot. Bonds3

About 1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425523) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114425523
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC(O)CN(C)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8-4-5-14(10(6-8)11(16)17)12(18)13(3)7-9(2)15/h8-10,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyOSPRONYKQDJVHI-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425406
4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425707
1-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425451
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425868
4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
CID 114425456
1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425841
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 114425505
(2S,4S)-4-hydroxy-1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713208
4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425828
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 103871148

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114425523) is 1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is CC(O)CN(C)C(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is OSPRONYKQDJVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8-4-5-14(10(6-8)11(16)17)12(18)13(3)7-9(2)15/h8-10,15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.60, 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]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).