3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid

C7H10N2O5 — CID 57038468

IUPAC3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid
SMILESCC(O)C(=[N+]=[N-])C(=O)OCCC(=O)O
InChIInChI=1S/C7H10N2O5/c1-4(10)6(9-8)7(13)14-3-2-5(11)12/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyFKNYABXGYQZAHR-UHFFFAOYSA-N
MW202.17 g/mol
LogP-0.94
Rot. Bonds5

About 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid

3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid (PubChem CID 57038468) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid.

Molecular Properties

Compound Name3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid
PubChem CID57038468
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid
SMILESCC(O)C(=[N+]=[N-])C(=O)OCCC(=O)O
InChIInChI=1S/C7H10N2O5/c1-4(10)6(9-8)7(13)14-3-2-5(11)12/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyFKNYABXGYQZAHR-UHFFFAOYSA-N
XLogP-0.94
TPSA120.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid
CID 173389746
3-(3-hydroxybutanoyloxy)propanoic acid
CID 57258254
2-aminopropanoic acid;2-diazo-3-hydroxybutanoic acid
CID 135818228
3-[(2R)-2-methylbutanoyl]oxypropanoic acid
CID 89148058
3-(3-hydroxy-2-methylidenepent-4-enoyl)oxypropanoic acid
CID 87784582
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
3-methoxypropanoic acid;yttrium
CID 87432975
butanoic acid;butyl 2-hydroxypropanoate
CID 87633857
3-[1-(2-aminoethoxy)ethoxy]propanoic acid
CID 140704240
3-[bis(sulfanyl)carbamoyloxy]propanoic acid
CID 57010225
methyl 2-diazo-3-methylbutanoate
CID 71373020
3-(2-methylpropoxy)propanoic acid
CID 15033462

Frequently Asked Questions

What is the IUPAC name of 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid?
The IUPAC name of 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid (CID 57038468) is 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid.
What is the SMILES notation for 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid?
The canonical SMILES for 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid is CC(O)C(=[N+]=[N-])C(=O)OCCC(=O)O.
What is the InChIKey of 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid?
The InChIKey is FKNYABXGYQZAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-4(10)6(9-8)7(13)14-3-2-5(11)12/h4,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid?
3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid has a molecular weight of 202.17 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid is sourced from PubChem (CID 57038468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).