2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid

C14H26N2O4 — CID 106587981

IUPAC2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N1CCCC(COC)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-4-7-12(13(17)18)15-14(19)16-8-5-6-11(9-16)10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVVYREUQJYIVFOZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds7

About 2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid

2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid (PubChem CID 106587981) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
PubChem CID106587981
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N1CCCC(COC)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-4-7-12(13(17)18)15-14(19)16-8-5-6-11(9-16)10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVVYREUQJYIVFOZ-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566360
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145229
2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 102962543
(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567387
(2S)-5-amino-2-[(3-ethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61200860
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
CID 63979418

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid?
The IUPAC name of 2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid (CID 106587981) is 2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid is CCCCC(NC(=O)N1CCCC(COC)C1)C(=O)O.
What is the InChIKey of 2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid?
The InChIKey is VVYREUQJYIVFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-7-12(13(17)18)15-14(19)16-8-5-6-11(9-16)10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid?
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 106587981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).