1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid

C11H17NO5 — CID 43829184

IUPAC1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CCC(C(N)=O)(C(=O)O)C1(C)C
InChIInChI=1S/C11H17NO5/c1-9(2)10(3,7(14)15)4-5-11(9,6(12)13)8(16)17/h4-5H2,1-3H3,(H2,12,13)(H,14,15)(H,16,17)
InChIKeyRNTCDFXJXWIMDG-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.45
Rot. Bonds3

About 1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid

1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid (PubChem CID 43829184) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid
PubChem CID43829184
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CCC(C(N)=O)(C(=O)O)C1(C)C
InChIInChI=1S/C11H17NO5/c1-9(2)10(3,7(14)15)4-5-11(9,6(12)13)8(16)17/h4-5H2,1-3H3,(H2,12,13)(H,14,15)(H,16,17)
InChIKeyRNTCDFXJXWIMDG-UHFFFAOYSA-N
XLogP0.45
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid?
The IUPAC name of 1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid (CID 43829184) is 1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid.
What is the SMILES notation for 1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid?
The canonical SMILES for 1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid is CC1(C(=O)O)CCC(C(N)=O)(C(=O)O)C1(C)C.
What is the InChIKey of 1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid?
The InChIKey is RNTCDFXJXWIMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-9(2)10(3,7(14)15)4-5-11(9,6(12)13)8(16)17/h4-5H2,1-3H3,(H2,12,13)(H,14,15)(H,16,17).
What are the key properties of 1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid?
1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid is sourced from PubChem (CID 43829184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).