2-diazo-3-oxo-5-phenylpentanoic acid

C11H10N2O3 — CID 57109065

IUPAC2-diazo-3-oxo-5-phenylpentanoic acid
SMILES[N-]=[N+]=C(C(=O)O)C(=O)CCc1ccccc1
InChIInChI=1S/C11H10N2O3/c12-13-10(11(15)16)9(14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyDAIQHUWZJAPYJA-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.94
Rot. Bonds5

About 2-diazo-3-oxo-5-phenylpentanoic acid

2-diazo-3-oxo-5-phenylpentanoic acid (PubChem CID 57109065) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-diazo-3-oxo-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-diazo-3-oxo-5-phenylpentanoic acid
PubChem CID57109065
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-diazo-3-oxo-5-phenylpentanoic acid
SMILES[N-]=[N+]=C(C(=O)O)C(=O)CCc1ccccc1
InChIInChI=1S/C11H10N2O3/c12-13-10(11(15)16)9(14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyDAIQHUWZJAPYJA-UHFFFAOYSA-N
XLogP0.94
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-diazo-3-oxo-5-phenylpentanoic 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

benzyl 2-diazo-3-oxo-5-phenylpentanoate
CID 101341598
2-diazo-4-phenylbutanoic acid
CID 137093485
2,3-dioxo-5-phenylpentanoic acid
CID 54131380
4-(4-diazo-3,5-dioxohexyl)benzenesulfonamide
CID 54351421
2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid
CID 56975360
1-diazo-1-(4-methoxyphenyl)-4-phenylbutan-2-one
CID 159299174
lanthanum;3-phenylpropanoic acid
CID 174887955
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
2-phenylethylcarbamothioic S-acid
CID 11116669
disodium;(Z)-2,3-bis(2-phenylethyl)but-2-enedioate
CID 66648612
4-bromo-5-methyl-1-phenylhex-4-en-3-one
CID 59864967
1,9-diphenylnonan-5-one
CID 23467830

Frequently Asked Questions

What is the IUPAC name of 2-diazo-3-oxo-5-phenylpentanoic acid?
The IUPAC name of 2-diazo-3-oxo-5-phenylpentanoic acid (CID 57109065) is 2-diazo-3-oxo-5-phenylpentanoic acid.
What is the SMILES notation for 2-diazo-3-oxo-5-phenylpentanoic acid?
The canonical SMILES for 2-diazo-3-oxo-5-phenylpentanoic acid is [N-]=[N+]=C(C(=O)O)C(=O)CCc1ccccc1.
What is the InChIKey of 2-diazo-3-oxo-5-phenylpentanoic acid?
The InChIKey is DAIQHUWZJAPYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-13-10(11(15)16)9(14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16).
What are the key properties of 2-diazo-3-oxo-5-phenylpentanoic acid?
2-diazo-3-oxo-5-phenylpentanoic acid has a molecular weight of 218.21 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-3-oxo-5-phenylpentanoic acid is sourced from PubChem (CID 57109065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).