5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid

C14H25NO3 — CID 107175880

IUPAC5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C14H25NO3/c1-10(6-4-8-12(16)17)15-13(18)11-7-5-9-14(11,2)3/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyQUBOJYNNAKZUGM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds6

About 5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid

5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid (PubChem CID 107175880) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid
PubChem CID107175880
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C14H25NO3/c1-10(6-4-8-12(16)17)15-13(18)11-7-5-9-14(11,2)3/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyQUBOJYNNAKZUGM-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid (CID 107175880) is 5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)C1CCCC1(C)C.
What is the InChIKey of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid?
The InChIKey is QUBOJYNNAKZUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(6-4-8-12(16)17)15-13(18)11-7-5-9-14(11,2)3/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid?
5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid is sourced from PubChem (CID 107175880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).