2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid

C12H23NO2 — CID 106664392

IUPAC2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid
SMILESCC(N)C1(CC(=O)O)CC(C)(C)CC1C
InChIInChI=1S/C12H23NO2/c1-8-5-11(3,4)7-12(8,9(2)13)6-10(14)15/h8-9H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyHPARBBDZCOLKIJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds3

About 2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid

2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid (PubChem CID 106664392) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid
PubChem CID106664392
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid
SMILESCC(N)C1(CC(=O)O)CC(C)(C)CC1C
InChIInChI=1S/C12H23NO2/c1-8-5-11(3,4)7-12(8,9(2)13)6-10(14)15/h8-9H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyHPARBBDZCOLKIJ-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid?
The IUPAC name of 2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid (CID 106664392) is 2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid is CC(N)C1(CC(=O)O)CC(C)(C)CC1C.
What is the InChIKey of 2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid?
The InChIKey is HPARBBDZCOLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8-5-11(3,4)7-12(8,9(2)13)6-10(14)15/h8-9H,5-7,13H2,1-4H3,(H,14,15).
What are the key properties of 2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid?
2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid is sourced from PubChem (CID 106664392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).