2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid

C11H19NO3 — CID 130596189

IUPAC2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid
SMILESCC1(C)CCC(C(NC=O)C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-11(2)5-3-8(4-6-11)9(10(14)15)12-7-13/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVECMFNXWPIYBKL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds4

About 2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid

2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid (PubChem CID 130596189) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid
PubChem CID130596189
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid
SMILESCC1(C)CCC(C(NC=O)C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-11(2)5-3-8(4-6-11)9(10(14)15)12-7-13/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVECMFNXWPIYBKL-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid (CID 130596189) is 2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid is CC1(C)CCC(C(NC=O)C(=O)O)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid?
The InChIKey is VECMFNXWPIYBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2)5-3-8(4-6-11)9(10(14)15)12-7-13/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid?
2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid is sourced from PubChem (CID 130596189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).