ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate

C10H17NO4 — CID 91484172

IUPACethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate
SMILESCCOC(=O)[C@@H](CO)/N=C(\C)CC(C)=O
InChIInChI=1S/C10H17NO4/c1-4-15-10(14)9(6-12)11-7(2)5-8(3)13/h9,12H,4-6H2,1-3H3/b11-7+/t9-/m1/s1
InChIKeyXPNLILQKIKGENN-MXFUOJGSSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds6

About ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate

ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate (PubChem CID 91484172) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate.

Molecular Properties

Compound Nameethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate
PubChem CID91484172
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate
SMILESCCOC(=O)[C@@H](CO)/N=C(\C)CC(C)=O
InChIInChI=1S/C10H17NO4/c1-4-15-10(14)9(6-12)11-7(2)5-8(3)13/h9,12H,4-6H2,1-3H3/b11-7+/t9-/m1/s1
InChIKeyXPNLILQKIKGENN-MXFUOJGSSA-N
XLogP0.35
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate?
The IUPAC name of ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate (CID 91484172) is ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate.
What is the SMILES notation for ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate?
The canonical SMILES for ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate is CCOC(=O)[C@@H](CO)/N=C(\C)CC(C)=O.
What is the InChIKey of ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate?
The InChIKey is XPNLILQKIKGENN-MXFUOJGSSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-15-10(14)9(6-12)11-7(2)5-8(3)13/h9,12H,4-6H2,1-3H3/b11-7+/t9-/m1/s1.
What are the key properties of ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate?
ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate has a molecular weight of 215.25 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-hydroxy-2-(4-oxopentan-2-ylideneamino)propanoate is sourced from PubChem (CID 91484172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).