1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid

C14H26N2O3 — CID 81079245

IUPAC1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC(CN)CC(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-3-11(10-15)9-12(17)16-7-5-14(4-2,6-8-16)13(18)19/h11H,3-10,15H2,1-2H3,(H,18,19)
InChIKeyWUSBJEZCNRMNCV-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.46
Rot. Bonds6

About 1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid

1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 81079245) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID81079245
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC(CN)CC(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-3-11(10-15)9-12(17)16-7-5-14(4-2,6-8-16)13(18)19/h11H,3-10,15H2,1-2H3,(H,18,19)
InChIKeyWUSBJEZCNRMNCV-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
4-ethyl-1-(3,5,5-trimethylhexanoyl)piperidine-4-carboxylic acid
CID 63125277
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
1-[2-(aminomethyl)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 65228007
1-[3-(aminomethyl)pentanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070345
3-(aminomethyl)-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625
1-[2-(tert-butylamino)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 79257130
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409154
3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 81071725
1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63125337
1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103155845

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid (CID 81079245) is 1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid is CCC(CN)CC(=O)N1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is WUSBJEZCNRMNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-11(10-15)9-12(17)16-7-5-14(4-2,6-8-16)13(18)19/h11H,3-10,15H2,1-2H3,(H,18,19).
What are the key properties of 1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid?
1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 81079245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).