prop-2-enyl (2S)-3-amino-2-methylpropanoate

C7H13NO2 — CID 59815575

IUPACprop-2-enyl (2S)-3-amino-2-methylpropanoate
SMILESC=CCOC(=O)[C@@H](C)CN
InChIInChI=1S/C7H13NO2/c1-3-4-10-7(9)6(2)5-8/h3,6H,1,4-5,8H2,2H3/t6-/m0/s1
InChIKeyWFALLXBFFDBEBN-LURJTMIESA-N
MW143.19 g/mol
LogP0.31
Rot. Bonds4

About prop-2-enyl (2S)-3-amino-2-methylpropanoate

prop-2-enyl (2S)-3-amino-2-methylpropanoate (PubChem CID 59815575) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is prop-2-enyl (2S)-3-amino-2-methylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-3-amino-2-methylpropanoate
PubChem CID59815575
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameprop-2-enyl (2S)-3-amino-2-methylpropanoate
SMILESC=CCOC(=O)[C@@H](C)CN
InChIInChI=1S/C7H13NO2/c1-3-4-10-7(9)6(2)5-8/h3,6H,1,4-5,8H2,2H3/t6-/m0/s1
InChIKeyWFALLXBFFDBEBN-LURJTMIESA-N
XLogP0.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-methylpent-4-enoate
CID 59817388
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl 3-cyano-2-methylpropanoate
CID 173307983
propan-2-yl (2S)-3-amino-2-methylpropanoate
CID 94542950
CID 58877383
CID 58877383
ethane;propane;prop-2-enyl 2-methylpropanoate
CID 158123161
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
propyl 3-amino-2-methylpropanoate
CID 54192704
prop-2-enyl 2-methyl-3-oxopentanoate
CID 11805176
prop-2-enyl 2-hydroxy-4-methylpentanoate
CID 18724155
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
CID 153317793

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-3-amino-2-methylpropanoate?
The IUPAC name of prop-2-enyl (2S)-3-amino-2-methylpropanoate (CID 59815575) is prop-2-enyl (2S)-3-amino-2-methylpropanoate.
What is the SMILES notation for prop-2-enyl (2S)-3-amino-2-methylpropanoate?
The canonical SMILES for prop-2-enyl (2S)-3-amino-2-methylpropanoate is C=CCOC(=O)[C@@H](C)CN.
What is the InChIKey of prop-2-enyl (2S)-3-amino-2-methylpropanoate?
The InChIKey is WFALLXBFFDBEBN-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-10-7(9)6(2)5-8/h3,6H,1,4-5,8H2,2H3/t6-/m0/s1.
What are the key properties of prop-2-enyl (2S)-3-amino-2-methylpropanoate?
prop-2-enyl (2S)-3-amino-2-methylpropanoate has a molecular weight of 143.19 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-3-amino-2-methylpropanoate is sourced from PubChem (CID 59815575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).