2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid

C10H19NO2 — CID 46227585

IUPAC2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid
SMILESCC[C@@H]1CCC(CN)(CC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-2-8-3-4-10(5-8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10?/m1/s1
InChIKeyJUNVYYPZXPVIAH-HNHGDDPOSA-N
MW185.27 g/mol
LogP1.62
Rot. Bonds4

About 2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid

2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid (PubChem CID 46227585) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid
PubChem CID46227585
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid
SMILESCC[C@@H]1CCC(CN)(CC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-2-8-3-4-10(5-8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10?/m1/s1
InChIKeyJUNVYYPZXPVIAH-HNHGDDPOSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid?
The IUPAC name of 2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid (CID 46227585) is 2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid is CC[C@@H]1CCC(CN)(CC(=O)O)C1.
What is the InChIKey of 2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid?
The InChIKey is JUNVYYPZXPVIAH-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-8-3-4-10(5-8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10?/m1/s1.
What are the key properties of 2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid?
2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(aminomethyl)-3-ethylcyclopentyl]acetic acid is sourced from PubChem (CID 46227585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).