(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid

C₉H₁₆N₂O₃ — CID 87217262

About (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid

(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid (PubChem CID 87217262) has the molecular formula C₉H₁₆N₂O₃ and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid
• PubChem CID: 87217262
• Molecular Formula: C₉H₁₆N₂O₃
• Molecular Weight: 200.24 g/mol
• Exact Mass: 200.12
• IUPAC Name: (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid
• SMILES: C=CCON[C@@H]1CC[C@@H](C(=O)O)NC1
• InChI: InChI=1S/C9H16N2O3/c1-2-5-14-11-7-3-4-8(9(12)13)10-6-7/h2,7-8,10-11H,1,3-6H2,(H,12,13)/t7-,8+/m1/s1
• InChIKey: UKGMRYJBNLZXRT-SFYZADRCSA-N
• XLogP: -0.10
• TPSA: 70.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.24
LogP ≤ 5	-0.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid?

The IUPAC name of (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid (CID 87217262) is (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid.

What is the SMILES notation for (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid?

The canonical SMILES for (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid is C=CCON[C@@H]1CC[C@@H](C(=O)O)NC1.

What is the InChIKey of (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid?

The InChIKey is UKGMRYJBNLZXRT-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-5-14-11-7-3-4-8(9(12)13)10-6-7/h2,7-8,10-11H,1,3-6H2,(H,12,13)/t7-,8+/m1/s1.

What are the key properties of (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid?

(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid is sourced from PubChem (CID 87217262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87217262 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.