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

C13H24N2O4 — CID 79290747

IUPAC2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOCCNCC(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-19-7-6-14-9-12(16)15-8-10-4-2-3-5-11(10)13(17)18/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyINVRDXQXTKELJE-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.23
Rot. Bonds8

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

2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79290747) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79290747
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOCCNCC(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-19-7-6-14-9-12(16)15-8-10-4-2-3-5-11(10)13(17)18/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyINVRDXQXTKELJE-UHFFFAOYSA-N
XLogP0.23
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-N-(oxan-2-ylmethyl)acetamide
CID 79281834
2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 64913466
N-[(4-ethylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119743684
2-[(but-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 77103475
2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride
CID 119766819
2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119670121
2-(2-methoxyethylamino)-N-(thiolan-2-ylmethyl)acetamide;hydrochloride
CID 119790691
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 82951994
trans-(1S,2R)-2-[(3-chloropropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108755885
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-methoxyethylamino)acetamide
CID 79280826
N-(2-ethylcyclohexyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119732978
2-(2-methoxyethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
CID 79282461

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79290747) is 2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is COCCNCC(=O)NCC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is INVRDXQXTKELJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-19-7-6-14-9-12(16)15-8-10-4-2-3-5-11(10)13(17)18/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79290747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).