acetyloxy(hydroxy)carbamic acid

C3H5NO5 — CID 154281940

IUPACacetyloxy(hydroxy)carbamic acid
SMILESCC(=O)ON(O)C(=O)O
InChIInChI=1S/C3H5NO5/c1-2(5)9-4(8)3(6)7/h8H,1H3,(H,6,7)
InChIKeyPKYOJPGQEQIUOZ-UHFFFAOYSA-N
MW135.07 g/mol
LogP-0.17
Rot. Bonds

About acetyloxy(hydroxy)carbamic acid

acetyloxy(hydroxy)carbamic acid (PubChem CID 154281940) has the molecular formula C3H5NO5 and a molecular weight of 135.07 g/mol. Its IUPAC name is acetyloxy(hydroxy)carbamic acid.

Molecular Properties

Compound Nameacetyloxy(hydroxy)carbamic acid
PubChem CID154281940
Molecular FormulaC3H5NO5
Molecular Weight135.07 g/mol
Exact Mass135.02
IUPAC Nameacetyloxy(hydroxy)carbamic acid
SMILESCC(=O)ON(O)C(=O)O
InChIInChI=1S/C3H5NO5/c1-2(5)9-4(8)3(6)7/h8H,1H3,(H,6,7)
InChIKeyPKYOJPGQEQIUOZ-UHFFFAOYSA-N
XLogP-0.17
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.07
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

alumane;(dihydroxyamino) acetate
CID 174458216
CID 159425404
CID 159425404
(diacetyloxyamino) acetate;iron
CID 174751012
acetic acid;ruthenium
CID 175502908
[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
CID 173013590
[bis(1-hydroxyethyl)amino] acetate
CID 57208315
[amino-(diacetyloxyamino)amino] acetate
CID 175234338
[acetyl(benzyl)amino] acetate
CID 131850460
ethaneperoxoic acid;methoxymethane
CID 87834215
magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
CID 175026838
acetic acid
CID 158444727
copper;(N-methylanilino) acetate
CID 88782119

Frequently Asked Questions

What is the IUPAC name of acetyloxy(hydroxy)carbamic acid?
The IUPAC name of acetyloxy(hydroxy)carbamic acid (CID 154281940) is acetyloxy(hydroxy)carbamic acid.
What is the SMILES notation for acetyloxy(hydroxy)carbamic acid?
The canonical SMILES for acetyloxy(hydroxy)carbamic acid is CC(=O)ON(O)C(=O)O.
What is the InChIKey of acetyloxy(hydroxy)carbamic acid?
The InChIKey is PKYOJPGQEQIUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO5/c1-2(5)9-4(8)3(6)7/h8H,1H3,(H,6,7).
What are the key properties of acetyloxy(hydroxy)carbamic acid?
acetyloxy(hydroxy)carbamic acid has a molecular weight of 135.07 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy(hydroxy)carbamic acid is sourced from PubChem (CID 154281940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).