5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid

C13H22N2O5 — CID 106587526

IUPAC5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
SMILESCOCC1CCCN(C(=O)NC(=O)CCCC(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-20-9-10-4-3-7-15(8-10)13(19)14-11(16)5-2-6-12(17)18/h10H,2-9H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyTXCKPRUBWKQRKJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.84
Rot. Bonds6

About 5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid

5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid (PubChem CID 106587526) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
PubChem CID106587526
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
SMILESCOCC1CCCN(C(=O)NC(=O)CCCC(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-20-9-10-4-3-7-15(8-10)13(19)14-11(16)5-2-6-12(17)18/h10H,2-9H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyTXCKPRUBWKQRKJ-UHFFFAOYSA-N
XLogP0.84
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254
4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 106587525
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534957
(E)-4-[(3S)-3-(methoxymethyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 129414306
N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64596602
3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid
CID 106587984
(E)-4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]but-2-enoic acid
CID 112746710
1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 106588000
6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
CID 43447360
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid (CID 106587526) is 5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid is COCC1CCCN(C(=O)NC(=O)CCCC(=O)O)C1.
What is the InChIKey of 5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid?
The InChIKey is TXCKPRUBWKQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-20-9-10-4-3-7-15(8-10)13(19)14-11(16)5-2-6-12(17)18/h10H,2-9H2,1H3,(H,17,18)(H,14,16,19).
What are the key properties of 5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid?
5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 106587526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).