ethyl (2R)-2-amino-4-methylpent-4-enoate

C8H15NO2 — CID 14163093

IUPACethyl (2R)-2-amino-4-methylpent-4-enoate
SMILESC=C(C)C[C@@H](N)C(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-11-8(10)7(9)5-6(2)3/h7H,2,4-5,9H2,1,3H3/t7-/m1/s1
InChIKeyXYHQYYSJUJFHEB-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds4

About ethyl (2R)-2-amino-4-methylpent-4-enoate

ethyl (2R)-2-amino-4-methylpent-4-enoate (PubChem CID 14163093) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl (2R)-2-amino-4-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-4-methylpent-4-enoate
PubChem CID14163093
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl (2R)-2-amino-4-methylpent-4-enoate
SMILESC=C(C)C[C@@H](N)C(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-11-8(10)7(9)5-6(2)3/h7H,2,4-5,9H2,1,3H3/t7-/m1/s1
InChIKeyXYHQYYSJUJFHEB-SSDOTTSWSA-N
XLogP0.84
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 ≤ 50.84
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

ethyl (2S)-2-amino-4-methylhexanoate
CID 86635246
ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate
CID 11426
ethyl (2R)-2-amino-3-[[(2R)-2-amino-3-ethoxy-3-oxopropyl]disulfanyl]propanoate
CID 6993069
ethyl 4-methyl-2-nitropent-4-enoate
CID 13331830
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl (2S)-2-hydroxy-3-methylbut-3-enoate
CID 129371875
ethene;ethyl 2-amino-3-oxobutanoate
CID 88717522
2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoic acid
CID 11173218
ethyl 3-acetylsulfanyl-2-aminopropanoate
CID 78146596
ethyl (2S)-2-amino-4-oxobutanoate
CID 174339605
ethyl (2S)-2-amino-3-(methylamino)propanoate
CID 59103878

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-4-methylpent-4-enoate?
The IUPAC name of ethyl (2R)-2-amino-4-methylpent-4-enoate (CID 14163093) is ethyl (2R)-2-amino-4-methylpent-4-enoate.
What is the SMILES notation for ethyl (2R)-2-amino-4-methylpent-4-enoate?
The canonical SMILES for ethyl (2R)-2-amino-4-methylpent-4-enoate is C=C(C)C[C@@H](N)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-amino-4-methylpent-4-enoate?
The InChIKey is XYHQYYSJUJFHEB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-11-8(10)7(9)5-6(2)3/h7H,2,4-5,9H2,1,3H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-4-methylpent-4-enoate?
ethyl (2R)-2-amino-4-methylpent-4-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-4-methylpent-4-enoate is sourced from PubChem (CID 14163093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).