1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid

C13H24N2O3 — CID 107068723

IUPAC1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCCCC(N)CC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-5-10(14)8-11(16)15-7-4-6-9(2)12(15)13(17)18/h9-10,12H,3-8,14H2,1-2H3,(H,17,18)
InChIKeyIRMISSCKCQUVKW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds5

About 1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid

1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107068723) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107068723
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCCCC(N)CC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-5-10(14)8-11(16)15-7-4-6-9(2)12(15)13(17)18/h9-10,12H,3-8,14H2,1-2H3,(H,17,18)
InChIKeyIRMISSCKCQUVKW-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

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Related Compounds

3-amino-1-(2,4-dimethyl-1,4-diazepan-1-yl)hexan-1-one
CID 114085729
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068932
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068866
1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069454
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
CID 107072437
1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068899
1-(2,2-dimethylbutanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069694

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid (CID 107068723) is 1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid is CCCC(N)CC(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is IRMISSCKCQUVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-5-10(14)8-11(16)15-7-4-6-9(2)12(15)13(17)18/h9-10,12H,3-8,14H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid?
1-(3-aminohexanoyl)-3-methylpiperidine-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-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107068723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).