2-[(3-ethylcyclopentyl)-propylamino]acetic acid

C12H23NO2 — CID 65064749

IUPAC2-[(3-ethylcyclopentyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C1CCC(CC)C1
InChIInChI=1S/C12H23NO2/c1-3-7-13(9-12(14)15)11-6-5-10(4-2)8-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyNHMNIVVWKYOXDX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds6

About 2-[(3-ethylcyclopentyl)-propylamino]acetic acid

2-[(3-ethylcyclopentyl)-propylamino]acetic acid (PubChem CID 65064749) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(3-ethylcyclopentyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethylcyclopentyl)-propylamino]acetic acid
PubChem CID65064749
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(3-ethylcyclopentyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C1CCC(CC)C1
InChIInChI=1S/C12H23NO2/c1-3-7-13(9-12(14)15)11-6-5-10(4-2)8-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyNHMNIVVWKYOXDX-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 2-[(3-ethylcyclopentyl)-propylamino]acetic acid?
The IUPAC name of 2-[(3-ethylcyclopentyl)-propylamino]acetic acid (CID 65064749) is 2-[(3-ethylcyclopentyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-ethylcyclopentyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(3-ethylcyclopentyl)-propylamino]acetic acid is CCCN(CC(=O)O)C1CCC(CC)C1.
What is the InChIKey of 2-[(3-ethylcyclopentyl)-propylamino]acetic acid?
The InChIKey is NHMNIVVWKYOXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-7-13(9-12(14)15)11-6-5-10(4-2)8-11/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-ethylcyclopentyl)-propylamino]acetic acid?
2-[(3-ethylcyclopentyl)-propylamino]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclopentyl)-propylamino]acetic acid is sourced from PubChem (CID 65064749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).