2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid

C16H16N4O5 — CID 56975360

IUPAC2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid
SMILES[N-]=[N+]=C(C(=O)O)C(=O)CC[C@H]1NC(=O)[C@H]1NC(=O)Cc1ccccc1
InChIInChI=1S/C16H16N4O5/c17-20-14(16(24)25)11(21)7-6-10-13(15(23)18-10)19-12(22)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,18,23)(H,19,22)(H,24,25)/t10-,13+/m1/s1
InChIKeyPOUWYQNBPGWXHS-MFKMUULPSA-N
MW344.33 g/mol
LogP-0.68
Rot. Bonds8

About 2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid

2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid (PubChem CID 56975360) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid.

Molecular Properties

Compound Name2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid
PubChem CID56975360
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid
SMILES[N-]=[N+]=C(C(=O)O)C(=O)CC[C@H]1NC(=O)[C@H]1NC(=O)Cc1ccccc1
InChIInChI=1S/C16H16N4O5/c17-20-14(16(24)25)11(21)7-6-10-13(15(23)18-10)19-12(22)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,18,23)(H,19,22)(H,24,25)/t10-,13+/m1/s1
InChIKeyPOUWYQNBPGWXHS-MFKMUULPSA-N
XLogP-0.68
TPSA148.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic 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

(4-methoxyphenyl)methyl 2-diazo-3-oxo-5-[4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoate
CID 86755102
2-diazo-3-oxo-5-phenylpentanoic acid
CID 57109065
N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide
CID 70467593
N-[2-[2,2-bis[(2-nitrophenyl)methylsulfanyl]ethyl]-4-oxoazetidin-3-yl]-2-phenylacetamide
CID 23346396
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
CID 67630207
N-(4-oxocyclohexyl)-2-phenylacetamide
CID 43652835
N-cyclopropyl-2-phenylacetamide
CID 5175687
2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide
CID 54382038
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 111658786
N-[(3aR,4R,7aR)-5,7-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]-2-phenylacetamide
CID 101332447
N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide
CID 54290142

Frequently Asked Questions

What is the IUPAC name of 2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid?
The IUPAC name of 2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid (CID 56975360) is 2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid.
What is the SMILES notation for 2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid?
The canonical SMILES for 2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid is [N-]=[N+]=C(C(=O)O)C(=O)CC[C@H]1NC(=O)[C@H]1NC(=O)Cc1ccccc1.
What is the InChIKey of 2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid?
The InChIKey is POUWYQNBPGWXHS-MFKMUULPSA-N. The full InChI is InChI=1S/C16H16N4O5/c17-20-14(16(24)25)11(21)7-6-10-13(15(23)18-10)19-12(22)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,18,23)(H,19,22)(H,24,25)/t10-,13+/m1/s1.
What are the key properties of 2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid?
2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid has a molecular weight of 344.33 g/mol, XLogP of -0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-3-oxo-5-[(2R,3S)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoic acid is sourced from PubChem (CID 56975360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).