methyl (2R)-2-(methylamino)hex-5-enoate

C8H15NO2 — CID 164670669

IUPACmethyl (2R)-2-(methylamino)hex-5-enoate
SMILESC=CCC[C@@H](NC)C(=O)OC
InChIInChI=1S/C8H15NO2/c1-4-5-6-7(9-2)8(10)11-3/h4,7,9H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyAEWGAALNOIEDSC-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds5

About methyl (2R)-2-(methylamino)hex-5-enoate

methyl (2R)-2-(methylamino)hex-5-enoate (PubChem CID 164670669) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl (2R)-2-(methylamino)hex-5-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-(methylamino)hex-5-enoate
PubChem CID164670669
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl (2R)-2-(methylamino)hex-5-enoate
SMILESC=CCC[C@@H](NC)C(=O)OC
InChIInChI=1S/C8H15NO2/c1-4-5-6-7(9-2)8(10)11-3/h4,7,9H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyAEWGAALNOIEDSC-SSDOTTSWSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(methylamino)hex-5-enoate?
The IUPAC name of methyl (2R)-2-(methylamino)hex-5-enoate (CID 164670669) is methyl (2R)-2-(methylamino)hex-5-enoate.
What is the SMILES notation for methyl (2R)-2-(methylamino)hex-5-enoate?
The canonical SMILES for methyl (2R)-2-(methylamino)hex-5-enoate is C=CCC[C@@H](NC)C(=O)OC.
What is the InChIKey of methyl (2R)-2-(methylamino)hex-5-enoate?
The InChIKey is AEWGAALNOIEDSC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-6-7(9-2)8(10)11-3/h4,7,9H,1,5-6H2,2-3H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(methylamino)hex-5-enoate?
methyl (2R)-2-(methylamino)hex-5-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(methylamino)hex-5-enoate is sourced from PubChem (CID 164670669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).