Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate

C₁₆H₂₅NO₃ — CID 102303294

About Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate

Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate (PubChem CID 102303294) has the molecular formula C₁₆H₂₅NO₃ and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate.

Molecular Properties

• Compound Name: Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate
• PubChem CID: 102303294
• Molecular Formula: C₁₆H₂₅NO₃
• Molecular Weight: 279.38 g/mol
• Exact Mass: 279.18
• IUPAC Name: ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate
• SMILES: CCOC(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(C)C
• InChI: InChI=1S/C16H25NO3/c1-4-20-16(19)10-14(12(2)3)17-15(11-18)13-8-6-5-7-9-13/h5-9,12,14-15,17-18H,4,10-11H2,1-3H3/t14-,15+/m1/s1
• InChIKey: WXLGPWWZAXRQDM-CABCVRRESA-N
• XLogP: 2.29
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.38
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate?

The IUPAC name of Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate (CID 102303294) is ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate.

What is the SMILES notation for Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate?

The canonical SMILES for Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate is CCOC(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(C)C.

What is the InChIKey of Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate?

The InChIKey is WXLGPWWZAXRQDM-CABCVRRESA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-20-16(19)10-14(12(2)3)17-15(11-18)13-8-6-5-7-9-13/h5-9,12,14-15,17-18H,4,10-11H2,1-3H3/t14-,15+/m1/s1.

What are the key properties of Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate?

Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate has a molecular weight of 279.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate is sourced from PubChem (CID 102303294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102303294 — identifiers, structure, computed properties (public domain)

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