4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid

C8H13NO6 — CID 126736357

IUPAC4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid
SMILESNCC(=O)OCC(=O)OCCCC(=O)O
InChIInChI=1S/C8H13NO6/c9-4-7(12)15-5-8(13)14-3-1-2-6(10)11/h1-5,9H2,(H,10,11)
InChIKeyCNYYAROLNXNJSB-UHFFFAOYSA-N
MW219.19 g/mol
LogP-1.10
Rot. Bonds7

About 4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid

4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid (PubChem CID 126736357) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is 4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid.

Molecular Properties

Compound Name4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid
PubChem CID126736357
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid
SMILESNCC(=O)OCC(=O)OCCCC(=O)O
InChIInChI=1S/C8H13NO6/c9-4-7(12)15-5-8(13)14-3-1-2-6(10)11/h1-5,9H2,(H,10,11)
InChIKeyCNYYAROLNXNJSB-UHFFFAOYSA-N
XLogP-1.10
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-hydroxypropanoyloxy)acetyl]oxybutanoic acid
CID 175389566
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
5-(5-amino-4-oxopentanoyl)oxypentanoic acid
CID 73050911
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 175454355
6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
CID 166530547
CID 166530547
3-hydroxypropyl 2-aminoacetate;hydrochloride
CID 174791685
6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoic acid;ethane-1,2-diol
CID 87078345
9-(2-aminoacetyl)oxy-9-oxononanoic acid
CID 174767814

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid?
The IUPAC name of 4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid (CID 126736357) is 4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid.
What is the SMILES notation for 4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid?
The canonical SMILES for 4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid is NCC(=O)OCC(=O)OCCCC(=O)O.
What is the InChIKey of 4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid?
The InChIKey is CNYYAROLNXNJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO6/c9-4-7(12)15-5-8(13)14-3-1-2-6(10)11/h1-5,9H2,(H,10,11).
What are the key properties of 4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid?
4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid has a molecular weight of 219.19 g/mol, XLogP of -1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid is sourced from PubChem (CID 126736357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).