1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid

C12H22N2O3 — CID 113430942

IUPAC1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)CCCCN
InChIInChI=1S/C12H22N2O3/c1-12(11(16)17)7-3-5-9-14(12)10(15)6-2-4-8-13/h2-9,13H2,1H3,(H,16,17)
InChIKeyRGINPSVNEDSHGD-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.97
Rot. Bonds5

About 1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid

1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 113430942) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID113430942
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)CCCCN
InChIInChI=1S/C12H22N2O3/c1-12(11(16)17)7-3-5-9-14(12)10(15)6-2-4-8-13/h2-9,13H2,1H3,(H,16,17)
InChIKeyRGINPSVNEDSHGD-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
CID 115270714
2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
CID 115270713
1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115270474
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid
CID 104594955
1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597337
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79854494
1-(3-amino-3-cyclopropylpropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597364

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid (CID 113430942) is 1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)CCCCN.
What is the InChIKey of 1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is RGINPSVNEDSHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(11(16)17)7-3-5-9-14(12)10(15)6-2-4-8-13/h2-9,13H2,1H3,(H,16,17).
What are the key properties of 1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid?
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 113430942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).