2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid

C14H26N2O4 — CID 81077834

IUPAC2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid
SMILESCCC1(C(=O)NC(CCCOC)C(=O)O)CCNCC1
InChIInChI=1S/C14H26N2O4/c1-3-14(6-8-15-9-7-14)13(19)16-11(12(17)18)5-4-10-20-2/h11,15H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHFGSFXNQYZDJCD-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.76
Rot. Bonds8

About 2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid

2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid (PubChem CID 81077834) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid
PubChem CID81077834
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid
SMILESCCC1(C(=O)NC(CCCOC)C(=O)O)CCNCC1
InChIInChI=1S/C14H26N2O4/c1-3-14(6-8-15-9-7-14)13(19)16-11(12(17)18)5-4-10-20-2/h11,15H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHFGSFXNQYZDJCD-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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

2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 63133312
5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 104597036
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
4-ethyl-N-octan-4-ylpiperidine-4-carboxamide
CID 106025848
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 81084970
4-ethyl-N-methoxypiperidine-4-carboxamide
CID 64974919
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81079004
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
2-[(3-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 63141860
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid (CID 81077834) is 2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid is CCC1(C(=O)NC(CCCOC)C(=O)O)CCNCC1.
What is the InChIKey of 2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid?
The InChIKey is HFGSFXNQYZDJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-14(6-8-15-9-7-14)13(19)16-11(12(17)18)5-4-10-20-2/h11,15H,3-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid?
2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81077834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).