2-[acetyloxy(benzoyl)amino]acetic acid

C11H11NO5 — CID 87378197

IUPAC2-[acetyloxy(benzoyl)amino]acetic acid
SMILESCC(=O)ON(CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C11H11NO5/c1-8(13)17-12(7-10(14)15)11(16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChIKeyMRGVNHGSVNPWMK-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.69
Rot. Bonds3

About 2-[acetyloxy(benzoyl)amino]acetic acid

2-[acetyloxy(benzoyl)amino]acetic acid (PubChem CID 87378197) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[acetyloxy(benzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyloxy(benzoyl)amino]acetic acid
PubChem CID87378197
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-[acetyloxy(benzoyl)amino]acetic acid
SMILESCC(=O)ON(CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C11H11NO5/c1-8(13)17-12(7-10(14)15)11(16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChIKeyMRGVNHGSVNPWMK-UHFFFAOYSA-N
XLogP0.69
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
[acetyl(benzyl)amino] acetate
CID 131850460
2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]-acetyloxyamino]acetic acid
CID 87516611
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-(N-benzoyloxyanilino)acetic acid
CID 174582365
benzoic acid;2-(dimethylamino)acetic acid;zinc
CID 158543723
(N-benzoyl-3-chloroanilino) acetate
CID 132609379
2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid
CID 58928007
[benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate
CID 53240791
(N-benzoylanilino) 3-oxobutanoate
CID 71384277
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979

Frequently Asked Questions

What is the IUPAC name of 2-[acetyloxy(benzoyl)amino]acetic acid?
The IUPAC name of 2-[acetyloxy(benzoyl)amino]acetic acid (CID 87378197) is 2-[acetyloxy(benzoyl)amino]acetic acid.
What is the SMILES notation for 2-[acetyloxy(benzoyl)amino]acetic acid?
The canonical SMILES for 2-[acetyloxy(benzoyl)amino]acetic acid is CC(=O)ON(CC(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 2-[acetyloxy(benzoyl)amino]acetic acid?
The InChIKey is MRGVNHGSVNPWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-8(13)17-12(7-10(14)15)11(16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-[acetyloxy(benzoyl)amino]acetic acid?
2-[acetyloxy(benzoyl)amino]acetic acid has a molecular weight of 237.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyloxy(benzoyl)amino]acetic acid is sourced from PubChem (CID 87378197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).