2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid

C10H21NO5 — CID 106993176

IUPAC2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOCC(O)CC(CCN)C(=O)O
InChIInChI=1S/C10H21NO5/c1-15-4-5-16-7-9(12)6-8(2-3-11)10(13)14/h8-9,12H,2-7,11H2,1H3,(H,13,14)
InChIKeyJHVSNAFXMMMKCJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP-0.55
Rot. Bonds10

About 2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid

2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid (PubChem CID 106993176) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid
PubChem CID106993176
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOCC(O)CC(CCN)C(=O)O
InChIInChI=1S/C10H21NO5/c1-15-4-5-16-7-9(12)6-8(2-3-11)10(13)14/h8-9,12H,2-7,11H2,1H3,(H,13,14)
InChIKeyJHVSNAFXMMMKCJ-UHFFFAOYSA-N
XLogP-0.55
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid
CID 106991547
2-(2-aminoethyl)-4-hydroxypentanoic acid
CID 104680935
2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid
CID 104681093
6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
CID 103416672
4-amino-2-(ethoxymethyl)butanoic acid
CID 104680964
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one
CID 123174964
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid?
The IUPAC name of 2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid (CID 106993176) is 2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid.
What is the SMILES notation for 2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid?
The canonical SMILES for 2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid is COCCOCC(O)CC(CCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid?
The InChIKey is JHVSNAFXMMMKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-15-4-5-16-7-9(12)6-8(2-3-11)10(13)14/h8-9,12H,2-7,11H2,1H3,(H,13,14).
What are the key properties of 2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid?
2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid has a molecular weight of 235.28 g/mol, XLogP of -0.55, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid is sourced from PubChem (CID 106993176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).