1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 106344050

IUPAC1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C(NC(=O)CC1(C(=O)O)CCCCC1)C(N)=O
InChIInChI=1S/C14H24N2O4/c1-9(2)11(12(15)18)16-10(17)8-14(13(19)20)6-4-3-5-7-14/h9,11H,3-8H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyJDEFDTWKDYIGGK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.04
Rot. Bonds6

About 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 106344050) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID106344050
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C(NC(=O)CC1(C(=O)O)CCCCC1)C(N)=O
InChIInChI=1S/C14H24N2O4/c1-9(2)11(12(15)18)16-10(17)8-14(13(19)20)6-4-3-5-7-14/h9,11H,3-8H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyJDEFDTWKDYIGGK-UHFFFAOYSA-N
XLogP1.04
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396421
1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 79254012
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61499207
1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106344921
3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
CID 106347336
1-[2-(4-methylsulfanylbutan-2-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113477007
1-[2-(heptan-2-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43578366
1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62119087
1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60941202
1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 54868105
1-[2-(1-cyanobutan-2-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62651646

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 106344050) is 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CC(C)C(NC(=O)CC1(C(=O)O)CCCCC1)C(N)=O.
What is the InChIKey of 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is JDEFDTWKDYIGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(2)11(12(15)18)16-10(17)8-14(13(19)20)6-4-3-5-7-14/h9,11H,3-8H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106344050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).