2-(2-acetamidoacetyl)oxyacetic acid

C6H9NO5 — CID 71459723

IUPAC2-(2-acetamidoacetyl)oxyacetic acid
SMILESCC(=O)NCC(=O)OCC(=O)O
InChIInChI=1S/C6H9NO5/c1-4(8)7-2-6(11)12-3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyHBXKIQPRCSNDBN-UHFFFAOYSA-N
MW175.14 g/mol
LogP-1.25
Rot. Bonds4

About 2-(2-acetamidoacetyl)oxyacetic acid

2-(2-acetamidoacetyl)oxyacetic acid (PubChem CID 71459723) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-(2-acetamidoacetyl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-acetamidoacetyl)oxyacetic acid
PubChem CID71459723
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name2-(2-acetamidoacetyl)oxyacetic acid
SMILESCC(=O)NCC(=O)OCC(=O)O
InChIInChI=1S/C6H9NO5/c1-4(8)7-2-6(11)12-3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyHBXKIQPRCSNDBN-UHFFFAOYSA-N
XLogP-1.25
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

17-Amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanoic acid
CID 51340918
N-Ethoxyacetylglycine
CID 134082
[(2-Methoxyethyl)carbamoyl]formic acid
CID 16112027
2-(2-Methoxy-2-oxoacetamido)acetic acid
CID 14991438
2-(2-Ethoxy-2-oxoacetamido)acetic acid
CID 45482712
2-(2-Acetamidoethoxy)acetic acid
CID 57148941
Ethyl 2-hydroxy-2-(2,2,2-trifluoroacetamido)acetate
CID 165944604
Ethyl (ethylamino)(oxo)acetate
CID 3413435
Methyl hydroxy[(methoxycarbonyl)amino]acetate
CID 11412561
Ethyl 2-hydroxyethyloxamate
CID 12253017
Acetamidoglycolic acid
CID 14212846
Ethyl 2-acetamido-2-hydroxyacetate
CID 15327002

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoacetyl)oxyacetic acid?
The IUPAC name of 2-(2-acetamidoacetyl)oxyacetic acid (CID 71459723) is 2-(2-acetamidoacetyl)oxyacetic acid.
What is the SMILES notation for 2-(2-acetamidoacetyl)oxyacetic acid?
The canonical SMILES for 2-(2-acetamidoacetyl)oxyacetic acid is CC(=O)NCC(=O)OCC(=O)O.
What is the InChIKey of 2-(2-acetamidoacetyl)oxyacetic acid?
The InChIKey is HBXKIQPRCSNDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c1-4(8)7-2-6(11)12-3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(2-acetamidoacetyl)oxyacetic acid?
2-(2-acetamidoacetyl)oxyacetic acid has a molecular weight of 175.14 g/mol, XLogP of -1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoacetyl)oxyacetic acid is sourced from PubChem (CID 71459723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).