5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid

C13H24N2O4 — CID 115867150

IUPAC5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)C1CC(C)CCN1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9-5-6-14-11(8-9)12(16)15-10(13(17)18)4-3-7-19-2/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySGLNDIOFXLAPOF-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.37
Rot. Bonds7

About 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid

5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid (PubChem CID 115867150) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid
PubChem CID115867150
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)C1CC(C)CCN1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9-5-6-14-11(8-9)12(16)15-10(13(17)18)4-3-7-19-2/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySGLNDIOFXLAPOF-UHFFFAOYSA-N
XLogP0.37
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.37
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

N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide
CID 114424479
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid
CID 81084026
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478644
N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide
CID 114424286
3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 115866989
2-[(3-aminocyclohexanecarbonyl)amino]-5-methoxypentanoic acid
CID 81078641
5-methoxy-2-(thiolane-3-carbonylamino)pentanoic acid
CID 81077225
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81082355
(2S)-2-[(4-methoxypyrrolidine-2-carbonyl)amino]hexanoic acid
CID 107146846
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 104921912

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid (CID 115867150) is 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid is COCCCC(NC(=O)C1CC(C)CCN1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid?
The InChIKey is SGLNDIOFXLAPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-5-6-14-11(8-9)12(16)15-10(13(17)18)4-3-7-19-2/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid?
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 115867150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).