4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid

C14H27NO2 — CID 79863209

IUPAC4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C1CCCC1(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)15(10-6-8-13(16)17)12-7-5-9-14(12,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyARAOXWTWZNMUEE-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds6

About 4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid

4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid (PubChem CID 79863209) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid
PubChem CID79863209
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C1CCCC1(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)15(10-6-8-13(16)17)12-7-5-9-14(12,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyARAOXWTWZNMUEE-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid (CID 79863209) is 4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C1CCCC1(C)C.
What is the InChIKey of 4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid?
The InChIKey is ARAOXWTWZNMUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)15(10-6-8-13(16)17)12-7-5-9-14(12,3)4/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid?
4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 79863209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).