2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid

C13H22N2O5 — CID 82786153

IUPAC2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)C1CCCCC1N)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-20-11(16)7-6-10(13(18)19)15-12(17)8-4-2-3-5-9(8)14/h8-10H,2-7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeySNFAYUKBQSYSEL-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.03
Rot. Bonds6

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

2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 82786153) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID82786153
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)C1CCCCC1N)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-20-11(16)7-6-10(13(18)19)15-12(17)8-4-2-3-5-9(8)14/h8-10H,2-7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeySNFAYUKBQSYSEL-UHFFFAOYSA-N
XLogP0.03
TPSA118.72 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 ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 103870594
2-[(2-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 64824444
(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 107830206
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909206
2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824797
2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824798
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786792
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
(2S)-2-[(1,1-dioxothiane-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820152
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid (CID 82786153) is 2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)C1CCCCC1N)C(=O)O.
What is the InChIKey of 2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is SNFAYUKBQSYSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-20-11(16)7-6-10(13(18)19)15-12(17)8-4-2-3-5-9(8)14/h8-10H,2-7,14H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid?
2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82786153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).