4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid

C14H25NO3 — CID 58010240

IUPAC4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(NC(=O)CC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C14H25NO3/c1-5-9-6-10(7-11(9)13(17)18)15-12(16)8-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyDNQMJOSIDBFKQZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds4

About 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid

4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid (PubChem CID 58010240) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid
PubChem CID58010240
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(NC(=O)CC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C14H25NO3/c1-5-9-6-10(7-11(9)13(17)18)15-12(16)8-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyDNQMJOSIDBFKQZ-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid (CID 58010240) is 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid is CCC1CC(NC(=O)CC(C)(C)C)CC1C(=O)O.
What is the InChIKey of 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid?
The InChIKey is DNQMJOSIDBFKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-9-6-10(7-11(9)13(17)18)15-12(16)8-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid?
4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 58010240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).