(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid

C13H22N2O5 — CID 107824348

IUPAC(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C1NCCCC1C)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-8-4-3-7-14-11(8)12(17)15-9(13(18)19)5-6-10(16)20-2/h8-9,11,14H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t8?,9-,11?/m1/s1
InChIKeyOEDIGVXJWWATRM-INWMGODYSA-N
MW286.33 g/mol
LogP-0.10
Rot. Bonds6

About (2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107824348) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107824348
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C1NCCCC1C)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-8-4-3-7-14-11(8)12(17)15-9(13(18)19)5-6-10(16)20-2/h8-9,11,14H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t8?,9-,11?/m1/s1
InChIKeyOEDIGVXJWWATRM-INWMGODYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
CID 107067933
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825151
(2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 107824424
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786153
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid
CID 102779851
(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107829563
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 103870594

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid (CID 107824348) is (2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)C1NCCCC1C)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is OEDIGVXJWWATRM-INWMGODYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8-4-3-7-14-11(8)12(17)15-9(13(18)19)5-6-10(16)20-2/h8-9,11,14H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t8?,9-,11?/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 286.33 g/mol, XLogP of -0.10, 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-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107824348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).