2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid

C10H21NO4 — CID 103416670

IUPAC2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOCCCC(CCN)C(=O)O
InChIInChI=1S/C10H21NO4/c1-14-7-8-15-6-2-3-9(4-5-11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyGAVAUAKCZYEXRS-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.48
Rot. Bonds10

About 2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid

2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid (PubChem CID 103416670) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
PubChem CID103416670
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOCCCC(CCN)C(=O)O
InChIInChI=1S/C10H21NO4/c1-14-7-8-15-6-2-3-9(4-5-11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyGAVAUAKCZYEXRS-UHFFFAOYSA-N
XLogP0.48
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
CID 103416672
4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103407397
2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid
CID 106993176
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
5-ethoxy-2-(2-ethoxyethyl)pentanoic acid
CID 121219340
2-(2-aminoethyl)nonanoic acid
CID 104680899
2-(2-aminoethyl)octadecanoic acid
CID 54025424
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
2-cyano-5-(2-methoxyethoxy)pentanoic acid
CID 163536414
2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid
CID 103410965
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
CID 66545696
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid?
The IUPAC name of 2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid (CID 103416670) is 2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid.
What is the SMILES notation for 2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid?
The canonical SMILES for 2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid is COCCOCCCC(CCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid?
The InChIKey is GAVAUAKCZYEXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-14-7-8-15-6-2-3-9(4-5-11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid?
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid is sourced from PubChem (CID 103416670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).