2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid

C10H21NO5 — CID 103404603

IUPAC2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
SMILESCOCCOCCCOCCC(N)C(=O)O
InChIInChI=1S/C10H21NO5/c1-14-7-8-16-5-2-4-15-6-3-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyBKHSHCDYUGTJRN-UHFFFAOYSA-N
MW235.28 g/mol
LogP-0.14
Rot. Bonds11

About 2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid

2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid (PubChem CID 103404603) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
PubChem CID103404603
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
SMILESCOCCOCCCOCCC(N)C(=O)O
InChIInChI=1S/C10H21NO5/c1-14-7-8-16-5-2-4-15-6-3-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyBKHSHCDYUGTJRN-UHFFFAOYSA-N
XLogP-0.14
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
2-amino-5-methoxypentanoic acid
CID 18361135
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
2-amino-4-(3-oxobutoxy)butanoic acid
CID 146272358
3-(2-methoxyethoxy)propyl (2R)-2-amino-4-hydroxybutanoate
CID 107825441
(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one
CID 59672514
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanamide
CID 103400791
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid?
The IUPAC name of 2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid (CID 103404603) is 2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid.
What is the SMILES notation for 2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid?
The canonical SMILES for 2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid is COCCOCCCOCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid?
The InChIKey is BKHSHCDYUGTJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-14-7-8-16-5-2-4-15-6-3-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid?
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid has a molecular weight of 235.28 g/mol, XLogP of -0.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid is sourced from PubChem (CID 103404603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).