1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid

C11H18N2O4 — CID 24703745

IUPAC1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)NCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H18N2O4/c1-8(14)12-7-9(15)13-11(10(16)17)5-3-2-4-6-11/h2-7H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyIZGHLFRHHGDXFL-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.03
Rot. Bonds4

About 1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid

1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 24703745) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID24703745
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)NCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H18N2O4/c1-8(14)12-7-9(15)13-11(10(16)17)5-3-2-4-6-11/h2-7H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyIZGHLFRHHGDXFL-UHFFFAOYSA-N
XLogP0.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid (CID 24703745) is 1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid is CC(=O)NCC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is IZGHLFRHHGDXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8(14)12-7-9(15)13-11(10(16)17)5-3-2-4-6-11/h2-7H2,1H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24703745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).