[1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide

C14H17N4O3- — CID 163502987

About [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide

[1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide (PubChem CID 163502987) has the molecular formula C14H17N4O3- and a molecular weight of 289.32 g/mol. Its IUPAC name is [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide.

Molecular Properties

• Compound Name: [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide
• PubChem CID: 163502987
• Molecular Formula: C14H17N4O3-
• Molecular Weight: 289.32 g/mol
• Exact Mass: 289.13
• IUPAC Name: [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide
• SMILES: CC(C)=C([NH-])N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O
• InChI: InChI=1S/C14H17N4O3/c1-7(2)12(16)18-11(14(20)21)9(13(18)19)5-8-3-4-17-10(15)6-8/h3-4,6,9,11,16H,5H2,1-2H3,(H2,15,17)(H,20,21)/q-1/t9-,11+/m1/s1
• InChIKey: CWHJPUXYMFEZDE-KOLCDFICSA-N
• XLogP: 1.42
• TPSA: 120.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.32
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide?

The IUPAC name of [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide (CID 163502987) is [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide.

What is the SMILES notation for [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide?

The canonical SMILES for [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide is CC(C)=C([NH-])N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O.

What is the InChIKey of [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide?

The InChIKey is CWHJPUXYMFEZDE-KOLCDFICSA-N. The full InChI is InChI=1S/C14H17N4O3/c1-7(2)12(16)18-11(14(20)21)9(13(18)19)5-8-3-4-17-10(15)6-8/h3-4,6,9,11,16H,5H2,1-2H3,(H2,15,17)(H,20,21)/q-1/t9-,11+/m1/s1.

What are the key properties of [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide?

[1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide has a molecular weight of 289.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide is sourced from PubChem (CID 163502987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).