5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid

C14H26N2O4 — CID 81078555

IUPAC5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
SMILESCOCCCC(NC(=O)CCC1CCCNC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-20-9-3-5-12(14(18)19)16-13(17)7-6-11-4-2-8-15-10-11/h11-12,15H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyNZTDXEZUQJBKKR-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.76
Rot. Bonds9

About 5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid

5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid (PubChem CID 81078555) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
PubChem CID81078555
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
SMILESCOCCCC(NC(=O)CCC1CCCNC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-20-9-3-5-12(14(18)19)16-13(17)7-6-11-4-2-8-15-10-11/h11-12,15H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyNZTDXEZUQJBKKR-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 81078722
(2R)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824462
(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824344
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81079004
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
CID 83176255
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
4-methoxy-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555814
2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
CID 106005297
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid (CID 81078555) is 5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid is COCCCC(NC(=O)CCC1CCCNC1)C(=O)O.
What is the InChIKey of 5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid?
The InChIKey is NZTDXEZUQJBKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-20-9-3-5-12(14(18)19)16-13(17)7-6-11-4-2-8-15-10-11/h11-12,15H,2-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid?
5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid is sourced from PubChem (CID 81078555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).