1-aminooxyethylcarbamic acid

C3H8N2O3 — CID 87523079

IUPAC1-aminooxyethylcarbamic acid
SMILESCC(NC(=O)O)ON
InChIInChI=1S/C3H8N2O3/c1-2(8-4)5-3(6)7/h2,5H,4H2,1H3,(H,6,7)
InChIKeyVWSQZFVTDDDPHC-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.51
Rot. Bonds2

About 1-aminooxyethylcarbamic acid

1-aminooxyethylcarbamic acid (PubChem CID 87523079) has the molecular formula C3H8N2O3 and a molecular weight of 120.11 g/mol. Its IUPAC name is 1-aminooxyethylcarbamic acid.

Molecular Properties

Compound Name1-aminooxyethylcarbamic acid
PubChem CID87523079
Molecular FormulaC3H8N2O3
Molecular Weight120.11 g/mol
Exact Mass120.05
IUPAC Name1-aminooxyethylcarbamic acid
SMILESCC(NC(=O)O)ON
InChIInChI=1S/C3H8N2O3/c1-2(8-4)5-3(6)7/h2,5H,4H2,1H3,(H,6,7)
InChIKeyVWSQZFVTDDDPHC-UHFFFAOYSA-N
XLogP-0.51
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminooxyethylcarbamic acid?
The IUPAC name of 1-aminooxyethylcarbamic acid (CID 87523079) is 1-aminooxyethylcarbamic acid.
What is the SMILES notation for 1-aminooxyethylcarbamic acid?
The canonical SMILES for 1-aminooxyethylcarbamic acid is CC(NC(=O)O)ON.
What is the InChIKey of 1-aminooxyethylcarbamic acid?
The InChIKey is VWSQZFVTDDDPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3/c1-2(8-4)5-3(6)7/h2,5H,4H2,1H3,(H,6,7).
What are the key properties of 1-aminooxyethylcarbamic acid?
1-aminooxyethylcarbamic acid has a molecular weight of 120.11 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxyethylcarbamic acid is sourced from PubChem (CID 87523079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).