ethyl (3S)-3-amino-5,5-diethoxypentanoate

C11H23NO4 — CID 124638351

IUPACethyl (3S)-3-amino-5,5-diethoxypentanoate
SMILESCCOC(=O)C[C@@H](N)CC(OCC)OCC
InChIInChI=1S/C11H23NO4/c1-4-14-10(13)7-9(12)8-11(15-5-2)16-6-3/h9,11H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeyZEEYYJCUOPRZKN-SECBINFHSA-N
MW233.31 g/mol
LogP1.06
Rot. Bonds9

About ethyl (3S)-3-amino-5,5-diethoxypentanoate

ethyl (3S)-3-amino-5,5-diethoxypentanoate (PubChem CID 124638351) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl (3S)-3-amino-5,5-diethoxypentanoate.

Molecular Properties

Compound Nameethyl (3S)-3-amino-5,5-diethoxypentanoate
PubChem CID124638351
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nameethyl (3S)-3-amino-5,5-diethoxypentanoate
SMILESCCOC(=O)C[C@@H](N)CC(OCC)OCC
InChIInChI=1S/C11H23NO4/c1-4-14-10(13)7-9(12)8-11(15-5-2)16-6-3/h9,11H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeyZEEYYJCUOPRZKN-SECBINFHSA-N
XLogP1.06
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-5,5-diethoxypentanoate?
The IUPAC name of ethyl (3S)-3-amino-5,5-diethoxypentanoate (CID 124638351) is ethyl (3S)-3-amino-5,5-diethoxypentanoate.
What is the SMILES notation for ethyl (3S)-3-amino-5,5-diethoxypentanoate?
The canonical SMILES for ethyl (3S)-3-amino-5,5-diethoxypentanoate is CCOC(=O)C[C@@H](N)CC(OCC)OCC.
What is the InChIKey of ethyl (3S)-3-amino-5,5-diethoxypentanoate?
The InChIKey is ZEEYYJCUOPRZKN-SECBINFHSA-N. The full InChI is InChI=1S/C11H23NO4/c1-4-14-10(13)7-9(12)8-11(15-5-2)16-6-3/h9,11H,4-8,12H2,1-3H3/t9-/m1/s1.
What are the key properties of ethyl (3S)-3-amino-5,5-diethoxypentanoate?
ethyl (3S)-3-amino-5,5-diethoxypentanoate has a molecular weight of 233.31 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-amino-5,5-diethoxypentanoate is sourced from PubChem (CID 124638351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).