3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid

C14H26N2O4 — CID 81088985

IUPAC3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid
SMILESCOCCCC(N)C(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-20-10-4-6-12(15)14(19)16-9-3-2-5-11(16)7-8-13(17)18/h11-12H,2-10,15H2,1H3,(H,17,18)
InChIKeyWVYJXEKXRRPVRF-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.99
Rot. Bonds8

About 3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid

3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid (PubChem CID 81088985) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid
PubChem CID81088985
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid
SMILESCOCCCC(N)C(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-20-10-4-6-12(15)14(19)16-9-3-2-5-11(16)7-8-13(17)18/h11-12H,2-10,15H2,1H3,(H,17,18)
InChIKeyWVYJXEKXRRPVRF-UHFFFAOYSA-N
XLogP0.99
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.99
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-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440
3-amino-4-[2-(2-carboxyethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 64895769
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-5-methoxypentan-1-one
CID 81089538
1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068899
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 62472697
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217915
2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid
CID 81100894
3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062585
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
CID 114220995

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid (CID 81088985) is 3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid is COCCCC(N)C(=O)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid?
The InChIKey is WVYJXEKXRRPVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-20-10-4-6-12(15)14(19)16-9-3-2-5-11(16)7-8-13(17)18/h11-12H,2-10,15H2,1H3,(H,17,18).
What are the key properties of 3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid?
3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 81088985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).