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

C10H21NO5 — CID 103407397

IUPAC4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid
SMILESCOCCOCCCOC(CCN)C(=O)O
InChIInChI=1S/C10H21NO5/c1-14-7-8-15-5-2-6-16-9(3-4-11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyUZFHDRXBLSPJFB-UHFFFAOYSA-N
MW235.28 g/mol
LogP-0.14
Rot. Bonds11

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

4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid (PubChem CID 103407397) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid
PubChem CID103407397
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid
SMILESCOCCOCCCOC(CCN)C(=O)O
InChIInChI=1S/C10H21NO5/c1-14-7-8-15-5-2-6-16-9(3-4-11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyUZFHDRXBLSPJFB-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

2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106450669
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
CID 103416672
2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
(2R)-4-amino-2-methoxybutanoic acid
CID 124508923
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612
1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol
CID 103407606
2-[2-(3-methoxypropoxy)ethoxy]pentanehydrazide
CID 103175980

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid?
The IUPAC name of 4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid (CID 103407397) is 4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid.
What is the SMILES notation for 4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid?
The canonical SMILES for 4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid is COCCOCCCOC(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid?
The InChIKey is UZFHDRXBLSPJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-14-7-8-15-5-2-6-16-9(3-4-11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid?
4-amino-2-[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 4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid is sourced from PubChem (CID 103407397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).