(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid

C13H22N2O5 — CID 63304867

IUPAC(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)N1CCC(C)CC1C)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-8-4-5-15(9(2)6-8)13(19)14-10(12(17)18)7-11(16)20-3/h8-10H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t8?,9?,10-/m0/s1
InChIKeyWYNLJGVZCDOTHQ-RTBKNWGFSA-N
MW286.33 g/mol
LogP0.83
Rot. Bonds4

About (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid

(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid (PubChem CID 63304867) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
PubChem CID63304867
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)N1CCC(C)CC1C)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-8-4-5-15(9(2)6-8)13(19)14-10(12(17)18)7-11(16)20-3/h8-10H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t8?,9?,10-/m0/s1
InChIKeyWYNLJGVZCDOTHQ-RTBKNWGFSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 62329877
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566820
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 62329876
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145998
(2S)-4-methoxy-4-oxo-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]butanoic acid
CID 104939771
2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55107825
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63770011
5-methoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 82787410
(2S)-5-methoxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107826487
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305374
methyl 2,4-dimethylpiperidine-1-carboxylate
CID 115643665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid (CID 63304867) is (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid is COC(=O)C[C@H](NC(=O)N1CCC(C)CC1C)C(=O)O.
What is the InChIKey of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
The InChIKey is WYNLJGVZCDOTHQ-RTBKNWGFSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8-4-5-15(9(2)6-8)13(19)14-10(12(17)18)7-11(16)20-3/h8-10H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 63304867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).