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

C10H15NO5 — CID 43829187

IUPAC1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid
SMILESCC1(C)C(C(=O)O)CCC1(C(N)=O)C(=O)O
InChIInChI=1S/C10H15NO5/c1-9(2)5(6(12)13)3-4-10(9,7(11)14)8(15)16/h5H,3-4H2,1-2H3,(H2,11,14)(H,12,13)(H,15,16)
InChIKeyYKPIWDZKHLODNT-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.06
Rot. Bonds3

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

1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid (PubChem CID 43829187) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid
PubChem CID43829187
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid
SMILESCC1(C)C(C(=O)O)CCC1(C(N)=O)C(=O)O
InChIInChI=1S/C10H15NO5/c1-9(2)5(6(12)13)3-4-10(9,7(11)14)8(15)16/h5H,3-4H2,1-2H3,(H2,11,14)(H,12,13)(H,15,16)
InChIKeyYKPIWDZKHLODNT-UHFFFAOYSA-N
XLogP0.06
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.06
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-dimethylcyclopentane-1,3-dicarboxylic acid?
The IUPAC name of 1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid (CID 43829187) is 1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid.
What is the SMILES notation for 1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid?
The canonical SMILES for 1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid is CC1(C)C(C(=O)O)CCC1(C(N)=O)C(=O)O.
What is the InChIKey of 1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid?
The InChIKey is YKPIWDZKHLODNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-9(2)5(6(12)13)3-4-10(9,7(11)14)8(15)16/h5H,3-4H2,1-2H3,(H2,11,14)(H,12,13)(H,15,16).
What are the key properties of 1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid?
1-carbamoyl-2,2-dimethylcyclopentane-1,3-dicarboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 0.06, 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-dimethylcyclopentane-1,3-dicarboxylic acid is sourced from PubChem (CID 43829187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).