1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid

C13H24N2O3 — CID 113342421

IUPAC1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCCCC(CN)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-4-10(8-14)12(16)15-6-5-9(2)7-11(15)13(17)18/h9-11H,3-8,14H2,1-2H3,(H,17,18)
InChIKeyXKQGJZZXNOOUHY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.07
Rot. Bonds5

About 1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid

1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 113342421) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID113342421
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCCCC(CN)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-4-10(8-14)12(16)15-6-5-9(2)7-11(15)13(17)18/h9-11H,3-8,14H2,1-2H3,(H,17,18)
InChIKeyXKQGJZZXNOOUHY-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 103871148
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 104921851
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-(2-propylpentanoyl)piperidine-2-carboxylic acid
CID 53215619
2-(aminomethyl)-1-(4-methylazepan-1-yl)pentan-1-one
CID 63622647
4-methyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-2-carboxylic acid
CID 103309287
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114424633
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114424749
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425523

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid (CID 113342421) is 1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid is CCCC(CN)C(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is XKQGJZZXNOOUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-4-10(8-14)12(16)15-6-5-9(2)7-11(15)13(17)18/h9-11H,3-8,14H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid?
1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 113342421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).