5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid

C14H23NO5 — CID 82786795

IUPAC5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)C1CCC(C)CC1)C(=O)O
InChIInChI=1S/C14H23NO5/c1-9-3-5-10(6-4-9)13(17)15-11(14(18)19)7-8-12(16)20-2/h9-11H,3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNOBUGFFAOXKJKU-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.34
Rot. Bonds6

About 5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid

5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid (PubChem CID 82786795) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
PubChem CID82786795
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)C1CCC(C)CC1)C(=O)O
InChIInChI=1S/C14H23NO5/c1-9-3-5-10(6-4-9)13(17)15-11(14(18)19)7-8-12(16)20-2/h9-11H,3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNOBUGFFAOXKJKU-UHFFFAOYSA-N
XLogP1.34
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid
CID 107039185
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
5-methoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 82787410
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
(2S)-5-methoxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107826487
(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107820415
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786153
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348
(2S)-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820442
(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 114005833
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 103870594

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid (CID 82786795) is 5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid is COC(=O)CCC(NC(=O)C1CCC(C)CC1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid?
The InChIKey is NOBUGFFAOXKJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-9-3-5-10(6-4-9)13(17)15-11(14(18)19)7-8-12(16)20-2/h9-11H,3-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid?
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 82786795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).