(4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid

C10H14N4O4 — CID 175279294

IUPAC(4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid
SMILESC[C@@H](N)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)C(=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H14N4O4/c1-3(8(15)7(14-12)10(17)18)6-5(4(2)11)9(16)13-6/h3-6H,11H2,1-2H3,(H,13,16)(H,17,18)/t3-,4-,5-,6-/m1/s1
InChIKeyMUTIHMNZHNKBLU-KVTDHHQDSA-N
MW254.25 g/mol
LogP-1.59
Rot. Bonds5

About (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid

(4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid (PubChem CID 175279294) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid
PubChem CID175279294
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid
SMILESC[C@@H](N)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)C(=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H14N4O4/c1-3(8(15)7(14-12)10(17)18)6-5(4(2)11)9(16)13-6/h3-6H,11H2,1-2H3,(H,13,16)(H,17,18)/t3-,4-,5-,6-/m1/s1
InChIKeyMUTIHMNZHNKBLU-KVTDHHQDSA-N
XLogP-1.59
TPSA145.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.59
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 (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid?
The IUPAC name of (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid (CID 175279294) is (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid.
What is the SMILES notation for (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid?
The canonical SMILES for (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid is C[C@@H](N)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)C(=[N+]=[N-])C(=O)O.
What is the InChIKey of (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid?
The InChIKey is MUTIHMNZHNKBLU-KVTDHHQDSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-3(8(15)7(14-12)10(17)18)6-5(4(2)11)9(16)13-6/h3-6H,11H2,1-2H3,(H,13,16)(H,17,18)/t3-,4-,5-,6-/m1/s1.
What are the key properties of (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid?
(4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid has a molecular weight of 254.25 g/mol, XLogP of -1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid is sourced from PubChem (CID 175279294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).