2-(2-aminooxyethoxy)propanoic acid

C5H11NO4 — CID 175557781

IUPAC2-(2-aminooxyethoxy)propanoic acid
SMILESCC(OCCON)C(=O)O
InChIInChI=1S/C5H11NO4/c1-4(5(7)8)9-2-3-10-6/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyNMJOKDFGNITEEU-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.63
Rot. Bonds5

About 2-(2-aminooxyethoxy)propanoic acid

2-(2-aminooxyethoxy)propanoic acid (PubChem CID 175557781) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-(2-aminooxyethoxy)propanoic acid.

Molecular Properties

Compound Name2-(2-aminooxyethoxy)propanoic acid
PubChem CID175557781
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name2-(2-aminooxyethoxy)propanoic acid
SMILESCC(OCCON)C(=O)O
InChIInChI=1S/C5H11NO4/c1-4(5(7)8)9-2-3-10-6/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyNMJOKDFGNITEEU-UHFFFAOYSA-N
XLogP-0.63
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoroethoxy)propanoic acid
CID 84648269
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
(2S)-2-(2-methylsulfanylethoxy)propanoic acid
CID 104875904
2-but-3-enoxypropanoic acid
CID 43128770
2-(2-amino-2-oxoethoxy)propanoic acid
CID 88812452
2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid
CID 86708289
(2S)-2-heptoxypropanoic acid
CID 22301798
(2S)-2-but-3-ynoxypropanoic acid
CID 104876016
2-(3,3-difluorobutoxy)propanoic acid
CID 84658279
(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
CID 104876409
2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid
CID 172703479

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethoxy)propanoic acid?
The IUPAC name of 2-(2-aminooxyethoxy)propanoic acid (CID 175557781) is 2-(2-aminooxyethoxy)propanoic acid.
What is the SMILES notation for 2-(2-aminooxyethoxy)propanoic acid?
The canonical SMILES for 2-(2-aminooxyethoxy)propanoic acid is CC(OCCON)C(=O)O.
What is the InChIKey of 2-(2-aminooxyethoxy)propanoic acid?
The InChIKey is NMJOKDFGNITEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c1-4(5(7)8)9-2-3-10-6/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-(2-aminooxyethoxy)propanoic acid?
2-(2-aminooxyethoxy)propanoic acid has a molecular weight of 149.15 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethoxy)propanoic acid is sourced from PubChem (CID 175557781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).