(2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid

C13H22N2O6 — CID 107393891

IUPAC(2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)N1CCCC(C)(OC)C1)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-13(21-3)5-4-6-15(8-13)12(19)14-9(11(17)18)7-10(16)20-2/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)/t9-,13?/m0/s1
InChIKeyFMEPFDUOHRDGRQ-LLTODGECSA-N
MW302.33 g/mol
LogP0.21
Rot. Bonds5

About (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid

(2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 107393891) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
PubChem CID107393891
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name(2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)N1CCCC(C)(OC)C1)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-13(21-3)5-4-6-15(8-13)12(19)14-9(11(17)18)7-10(16)20-2/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)/t9-,13?/m0/s1
InChIKeyFMEPFDUOHRDGRQ-LLTODGECSA-N
XLogP0.21
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107393967
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 107393924
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841554
2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 107393953
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005879
(2R)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107828378
(2S)-2-[(3-aminopiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305241
(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 104876769
(2S)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 78956516
(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567056
1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107394038

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid (CID 107393891) is (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid is COC(=O)C[C@H](NC(=O)N1CCCC(C)(OC)C1)C(=O)O.
What is the InChIKey of (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is FMEPFDUOHRDGRQ-LLTODGECSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-13(21-3)5-4-6-15(8-13)12(19)14-9(11(17)18)7-10(16)20-2/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)/t9-,13?/m0/s1.
What are the key properties of (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
(2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 302.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 107393891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).