ethenyl (2S)-2-amino-4-methylpentanoate

C8H15NO2 — CID 57471579

IUPACethenyl (2S)-2-amino-4-methylpentanoate
SMILESC=COC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C8H15NO2/c1-4-11-8(10)7(9)5-6(2)3/h4,6-7H,1,5,9H2,2-3H3/t7-/m0/s1
InChIKeyYZYXDUKROXGRKV-ZETCQYMHSA-N
MW157.21 g/mol
LogP1.05
Rot. Bonds4

About ethenyl (2S)-2-amino-4-methylpentanoate

ethenyl (2S)-2-amino-4-methylpentanoate (PubChem CID 57471579) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethenyl (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Nameethenyl (2S)-2-amino-4-methylpentanoate
PubChem CID57471579
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethenyl (2S)-2-amino-4-methylpentanoate
SMILESC=COC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C8H15NO2/c1-4-11-8(10)7(9)5-6(2)3/h4,6-7H,1,5,9H2,2-3H3/t7-/m0/s1
InChIKeyYZYXDUKROXGRKV-ZETCQYMHSA-N
XLogP1.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl (2S)-2-amino-4-methylpentanoate?
The IUPAC name of ethenyl (2S)-2-amino-4-methylpentanoate (CID 57471579) is ethenyl (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for ethenyl (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for ethenyl (2S)-2-amino-4-methylpentanoate is C=COC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of ethenyl (2S)-2-amino-4-methylpentanoate?
The InChIKey is YZYXDUKROXGRKV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-11-8(10)7(9)5-6(2)3/h4,6-7H,1,5,9H2,2-3H3/t7-/m0/s1.
What are the key properties of ethenyl (2S)-2-amino-4-methylpentanoate?
ethenyl (2S)-2-amino-4-methylpentanoate has a molecular weight of 157.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 57471579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).