(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid

C13H22N2O5 — CID 107824378

IUPAC(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C1(C)CCCCN1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-13(7-3-4-8-14-13)12(19)15-9(11(17)18)5-6-10(16)20-2/h9,14H,3-8H2,1-2H3,(H,15,19)(H,17,18)/t9-,13?/m1/s1
InChIKeyCUFGIAJLZIORBO-CGCSKFHYSA-N
MW286.33 g/mol
LogP0.04
Rot. Bonds6

About (2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107824378) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107824378
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C1(C)CCCCN1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-13(7-3-4-8-14-13)12(19)15-9(11(17)18)5-6-10(16)20-2/h9,14H,3-8H2,1-2H3,(H,15,19)(H,17,18)/t9-,13?/m1/s1
InChIKeyCUFGIAJLZIORBO-CGCSKFHYSA-N
XLogP0.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 103870614
(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 104596611
5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 104597036
(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 104596612
(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid
CID 82813014
(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 107828105
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
CID 106161126
(2R)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107828378
N-[(2S)-1-hydroxypropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107218975
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 113368563
N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
CID 64605467
(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824195

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid (CID 107824378) is (2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)C1(C)CCCCN1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is CUFGIAJLZIORBO-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(7-3-4-8-14-13)12(19)15-9(11(17)18)5-6-10(16)20-2/h9,14H,3-8H2,1-2H3,(H,15,19)(H,17,18)/t9-,13?/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107824378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).