[(2S)-2-amino-3-oxopropyl] octanoate

C11H21NO3 — CID 155312307

IUPAC[(2S)-2-amino-3-oxopropyl] octanoate
SMILESCCCCCCCC(=O)OC[C@H](N)C=O
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-6-7-11(14)15-9-10(12)8-13/h8,10H,2-7,9,12H2,1H3/t10-/m1/s1
InChIKeyCSUFCBOFZFUZNV-SNVBAGLBSA-N
MW215.29 g/mol
LogP1.42
Rot. Bonds9

About [(2S)-2-amino-3-oxopropyl] octanoate

[(2S)-2-amino-3-oxopropyl] octanoate (PubChem CID 155312307) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [(2S)-2-amino-3-oxopropyl] octanoate.

Molecular Properties

Compound Name[(2S)-2-amino-3-oxopropyl] octanoate
PubChem CID155312307
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[(2S)-2-amino-3-oxopropyl] octanoate
SMILESCCCCCCCC(=O)OC[C@H](N)C=O
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-6-7-11(14)15-9-10(12)8-13/h8,10H,2-7,9,12H2,1H3/t10-/m1/s1
InChIKeyCSUFCBOFZFUZNV-SNVBAGLBSA-N
XLogP1.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-oxopropyl] octanoate?
The IUPAC name of [(2S)-2-amino-3-oxopropyl] octanoate (CID 155312307) is [(2S)-2-amino-3-oxopropyl] octanoate.
What is the SMILES notation for [(2S)-2-amino-3-oxopropyl] octanoate?
The canonical SMILES for [(2S)-2-amino-3-oxopropyl] octanoate is CCCCCCCC(=O)OC[C@H](N)C=O.
What is the InChIKey of [(2S)-2-amino-3-oxopropyl] octanoate?
The InChIKey is CSUFCBOFZFUZNV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-4-5-6-7-11(14)15-9-10(12)8-13/h8,10H,2-7,9,12H2,1H3/t10-/m1/s1.
What are the key properties of [(2S)-2-amino-3-oxopropyl] octanoate?
[(2S)-2-amino-3-oxopropyl] octanoate has a molecular weight of 215.29 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-oxopropyl] octanoate is sourced from PubChem (CID 155312307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).