1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid

C13H22N2O4 — CID 61294871

IUPAC1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)N(C)CC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C13H22N2O4/c1-9-6-4-5-7-13(9,12(18)19)14-11(17)8-15(3)10(2)16/h9H,4-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyRQMBKGWIDHJYNO-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.61
Rot. Bonds4

About 1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid

1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61294871) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID61294871
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)N(C)CC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C13H22N2O4/c1-9-6-4-5-7-13(9,12(18)19)14-11(17)8-15(3)10(2)16/h9H,4-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyRQMBKGWIDHJYNO-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid (CID 61294871) is 1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid is CC(=O)N(C)CC(=O)NC1(C(=O)O)CCCCC1C.
What is the InChIKey of 1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is RQMBKGWIDHJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-6-4-5-7-13(9,12(18)19)14-11(17)8-15(3)10(2)16/h9H,4-8H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61294871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).