2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid

C14H26N2O3 — CID 113287701

IUPAC2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CCCCNC(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-11(2)7-4-5-9-15-13(19)16-10-6-8-14(16,3)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyOBQDMDBFUPBMEG-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds6

About 2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid

2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 113287701) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID113287701
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CCCCNC(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-11(2)7-4-5-9-15-13(19)16-10-6-8-14(16,3)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyOBQDMDBFUPBMEG-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
CID 115270713
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83144196
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106341166
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113495111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 113287701) is 2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(C)CCCCNC(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OBQDMDBFUPBMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)7-4-5-9-15-13(19)16-10-6-8-14(16,3)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113287701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).