2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid

C12H20N2O4 — CID 54901630

IUPAC2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid
SMILESCC(=O)NCC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H20N2O4/c1-8(15)13-7-10(16)14-11(12(17)18)9-5-3-2-4-6-9/h9,11H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyWIQYTJNRLAHMHR-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.27
Rot. Bonds5

About 2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid

2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid (PubChem CID 54901630) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid
PubChem CID54901630
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid
SMILESCC(=O)NCC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H20N2O4/c1-8(15)13-7-10(16)14-11(12(17)18)9-5-3-2-4-6-9/h9,11H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyWIQYTJNRLAHMHR-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid (CID 54901630) is 2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid is CC(=O)NCC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid?
The InChIKey is WIQYTJNRLAHMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(15)13-7-10(16)14-11(12(17)18)9-5-3-2-4-6-9/h9,11H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid?
2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 54901630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).