2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid

C13H23NO2 — CID 65055054

IUPAC2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid
SMILESCCC1CCC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C13H23NO2/c1-2-10-5-6-12(7-10)14(9-13(15)16)8-11-3-4-11/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyIOGUOGIAADWZIF-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds6

About 2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid

2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid (PubChem CID 65055054) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid
PubChem CID65055054
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid
SMILESCCC1CCC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C13H23NO2/c1-2-10-5-6-12(7-10)14(9-13(15)16)8-11-3-4-11/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyIOGUOGIAADWZIF-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
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-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid (CID 65055054) is 2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid is CCC1CCC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid?
The InChIKey is IOGUOGIAADWZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-10-5-6-12(7-10)14(9-13(15)16)8-11-3-4-11/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid?
2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid has a molecular weight of 225.33 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-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid is sourced from PubChem (CID 65055054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).