3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid

C12H19NO5 — CID 18185068

IUPAC3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)NCC(=O)O)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C12H19NO5/c1-11(2)7(9(16)17)4-5-12(11,3)10(18)13-6-8(14)15/h7H,4-6H2,1-3H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeySTBWFJPOODUZNX-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.71
Rot. Bonds4

About 3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid

3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid (PubChem CID 18185068) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
PubChem CID18185068
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)NCC(=O)O)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C12H19NO5/c1-11(2)7(9(16)17)4-5-12(11,3)10(18)13-6-8(14)15/h7H,4-6H2,1-3H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeySTBWFJPOODUZNX-UHFFFAOYSA-N
XLogP0.71
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid (CID 18185068) is 3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid is CC1(C(=O)NCC(=O)O)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid?
The InChIKey is STBWFJPOODUZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-11(2)7(9(16)17)4-5-12(11,3)10(18)13-6-8(14)15/h7H,4-6H2,1-3H3,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of 3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid?
3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 18185068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).