1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid

C13H24N2O4 — CID 107068899

IUPAC1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCOCCCC(N)C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9-5-3-7-15(11(9)13(17)18)12(16)10(14)6-4-8-19-2/h9-11H,3-8,14H2,1-2H3,(H,17,18)
InChIKeyJGACMPYSQCUQCJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.45
Rot. Bonds6

About 1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid

1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107068899) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107068899
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCOCCCC(N)C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9-5-3-7-15(11(9)13(17)18)12(16)10(14)6-4-8-19-2/h9-11H,3-8,14H2,1-2H3,(H,17,18)
InChIKeyJGACMPYSQCUQCJ-UHFFFAOYSA-N
XLogP0.45
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-5-methoxypentan-1-one
CID 81089538
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
CID 114220995
3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid
CID 81088985
1-(2-amino-5-methoxypentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 81083197
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
CID 112734411
2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81081732
2-amino-5-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)pentan-1-one
CID 114593016

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid (CID 107068899) is 1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid is COCCCC(N)C(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is JGACMPYSQCUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-5-3-7-15(11(9)13(17)18)12(16)10(14)6-4-8-19-2/h9-11H,3-8,14H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid?
1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107068899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).