3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid

C10H19NO3 — CID 169177393

IUPAC3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid
SMILESCCN(CCOCCC(=O)O)C1CC1
InChIInChI=1S/C10H19NO3/c1-2-11(9-3-4-9)6-8-14-7-5-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyLKJBNGZTRHLUSK-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds8

About 3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid

3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid (PubChem CID 169177393) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid
PubChem CID169177393
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid
SMILESCCN(CCOCCC(=O)O)C1CC1
InChIInChI=1S/C10H19NO3/c1-2-11(9-3-4-9)6-8-14-7-5-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyLKJBNGZTRHLUSK-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl(2-ethoxyethyl)amino]propanoic acid
CID 60838703
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
CID 104564790
4-[cyclopropyl(ethyl)amino]butan-2-one
CID 43243301
3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
CID 170368150
3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid
CID 80699493
N-[2-(2-aminoethoxy)ethyl]-N-ethylcyclohexanamine
CID 19098628
4-[2-ethoxyethyl(ethyl)amino]cyclohexan-1-one
CID 114762224
N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine
CID 63665894
3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol
CID 170584632
bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride
CID 141089357
3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid
CID 122463166

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid (CID 169177393) is 3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid is CCN(CCOCCC(=O)O)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid?
The InChIKey is LKJBNGZTRHLUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-11(9-3-4-9)6-8-14-7-5-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid?
3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid is sourced from PubChem (CID 169177393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).