2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid

C11H20N2O3 — CID 104595535

IUPAC2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCCNC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-7-12-10(16)13-8-5-4-6-11(13,2)9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyQNQPJJAORMATQV-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.44
Rot. Bonds3

About 2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid

2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 104595535) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID104595535
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCCNC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-7-12-10(16)13-8-5-4-6-11(13,2)9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyQNQPJJAORMATQV-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113495111
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597770
2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113287701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid (CID 104595535) is 2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid is CCCNC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is QNQPJJAORMATQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-7-12-10(16)13-8-5-4-6-11(13,2)9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid?
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104595535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).