3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid

C12H23NO2 — CID 80699493

IUPAC3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C1CCC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-4-13(8-6-11(14)15)10-5-7-12(2,3)9-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyKHUWHOZFUABXJV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds5

About 3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid

3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid (PubChem CID 80699493) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid
PubChem CID80699493
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C1CCC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-4-13(8-6-11(14)15)10-5-7-12(2,3)9-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyKHUWHOZFUABXJV-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid (CID 80699493) is 3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C1CCC(C)(C)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid?
The InChIKey is KHUWHOZFUABXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-13(8-6-11(14)15)10-5-7-12(2,3)9-10/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid?
3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid is sourced from PubChem (CID 80699493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).