1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid

C13H24N2O3 — CID 114085633

IUPAC1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC1(C)CCCN(C(=O)CCCCN)C1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-13(2)7-5-9-15(11(13)12(17)18)10(16)6-3-4-8-14/h11H,3-9,14H2,1-2H3,(H,17,18)
InChIKeyYLJCHMGEXCVTHB-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds5

About 1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid

1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid (PubChem CID 114085633) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
PubChem CID114085633
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC1(C)CCCN(C(=O)CCCCN)C1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-13(2)7-5-9-15(11(13)12(17)18)10(16)6-3-4-8-14/h11H,3-9,14H2,1-2H3,(H,17,18)
InChIKeyYLJCHMGEXCVTHB-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
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-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085623
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085230
1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide
CID 10728317
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
1-(3-ethoxy-3-oxopropyl)sulfonyl-3,3-dimethylpiperidine-2-carboxylic acid
CID 106831643
7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
CID 55157660
3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 114085275
1-(7-aminoheptanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123998
6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 53399018
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid (CID 114085633) is 1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid is CC1(C)CCCN(C(=O)CCCCN)C1C(=O)O.
What is the InChIKey of 1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
The InChIKey is YLJCHMGEXCVTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2)7-5-9-15(11(13)12(17)18)10(16)6-3-4-8-14/h11H,3-9,14H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114085633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).