(2S)-2-[formyl(hydroxy)amino]propanoic acid

C4H7NO4 — CID 6336523

IUPAC(2S)-2-[formyl(hydroxy)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(O)C=O
InChIInChI=1S/C4H7NO4/c1-3(4(7)8)5(9)2-6/h2-3,9H,1H3,(H,7,8)/t3-/m0/s1
InChIKeyXSGZBEAQSXKYJO-VKHMYHEASA-N
MW133.10 g/mol
LogP-0.69
Rot. Bonds3

About (2S)-2-[formyl(hydroxy)amino]propanoic acid

(2S)-2-[formyl(hydroxy)amino]propanoic acid (PubChem CID 6336523) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is (2S)-2-[formyl(hydroxy)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[formyl(hydroxy)amino]propanoic acid
PubChem CID6336523
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name(2S)-2-[formyl(hydroxy)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(O)C=O
InChIInChI=1S/C4H7NO4/c1-3(4(7)8)5(9)2-6/h2-3,9H,1H3,(H,7,8)/t3-/m0/s1
InChIKeyXSGZBEAQSXKYJO-VKHMYHEASA-N
XLogP-0.69
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2S)-2-[formyl(hydroxy)amino]propanoic acid?
The IUPAC name of (2S)-2-[formyl(hydroxy)amino]propanoic acid (CID 6336523) is (2S)-2-[formyl(hydroxy)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[formyl(hydroxy)amino]propanoic acid?
The canonical SMILES for (2S)-2-[formyl(hydroxy)amino]propanoic acid is C[C@@H](C(=O)O)N(O)C=O.
What is the InChIKey of (2S)-2-[formyl(hydroxy)amino]propanoic acid?
The InChIKey is XSGZBEAQSXKYJO-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NO4/c1-3(4(7)8)5(9)2-6/h2-3,9H,1H3,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-2-[formyl(hydroxy)amino]propanoic acid?
(2S)-2-[formyl(hydroxy)amino]propanoic acid has a molecular weight of 133.10 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[formyl(hydroxy)amino]propanoic acid is sourced from PubChem (CID 6336523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).