methyl 2-[formyl(hydroxy)amino]propanoate

C5H9NO4 — CID 13028045

IUPACmethyl 2-[formyl(hydroxy)amino]propanoate
SMILESCOC(=O)C(C)N(O)C=O
InChIInChI=1S/C5H9NO4/c1-4(5(8)10-2)6(9)3-7/h3-4,9H,1-2H3
InChIKeySUTXGHLICSRPOX-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.60
Rot. Bonds3

About methyl 2-[formyl(hydroxy)amino]propanoate

methyl 2-[formyl(hydroxy)amino]propanoate (PubChem CID 13028045) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is methyl 2-[formyl(hydroxy)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[formyl(hydroxy)amino]propanoate
PubChem CID13028045
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Namemethyl 2-[formyl(hydroxy)amino]propanoate
SMILESCOC(=O)C(C)N(O)C=O
InChIInChI=1S/C5H9NO4/c1-4(5(8)10-2)6(9)3-7/h3-4,9H,1-2H3
InChIKeySUTXGHLICSRPOX-UHFFFAOYSA-N
XLogP-0.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 methyl 2-[formyl(hydroxy)amino]propanoate?
The IUPAC name of methyl 2-[formyl(hydroxy)amino]propanoate (CID 13028045) is methyl 2-[formyl(hydroxy)amino]propanoate.
What is the SMILES notation for methyl 2-[formyl(hydroxy)amino]propanoate?
The canonical SMILES for methyl 2-[formyl(hydroxy)amino]propanoate is COC(=O)C(C)N(O)C=O.
What is the InChIKey of methyl 2-[formyl(hydroxy)amino]propanoate?
The InChIKey is SUTXGHLICSRPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-4(5(8)10-2)6(9)3-7/h3-4,9H,1-2H3.
What are the key properties of methyl 2-[formyl(hydroxy)amino]propanoate?
methyl 2-[formyl(hydroxy)amino]propanoate has a molecular weight of 147.13 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[formyl(hydroxy)amino]propanoate is sourced from PubChem (CID 13028045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).