methyl 2-amino-3,3-dimethylpent-4-enoate

C8H15NO2 — CID 22592920

IUPACmethyl 2-amino-3,3-dimethylpent-4-enoate
SMILESC=CC(C)(C)C(N)C(=O)OC
InChIInChI=1S/C8H15NO2/c1-5-8(2,3)6(9)7(10)11-4/h5-6H,1,9H2,2-4H3
InChIKeyXSCYPVMDZRZRPA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.70
Rot. Bonds3

About methyl 2-amino-3,3-dimethylpent-4-enoate

methyl 2-amino-3,3-dimethylpent-4-enoate (PubChem CID 22592920) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-amino-3,3-dimethylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-amino-3,3-dimethylpent-4-enoate
PubChem CID22592920
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-amino-3,3-dimethylpent-4-enoate
SMILESC=CC(C)(C)C(N)C(=O)OC
InChIInChI=1S/C8H15NO2/c1-5-8(2,3)6(9)7(10)11-4/h5-6H,1,9H2,2-4H3
InChIKeyXSCYPVMDZRZRPA-UHFFFAOYSA-N
XLogP0.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.70
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

methyl (2R)-2-amino-3-fluoro-3-methylbutanoate
CID 91978307
methyl 2,3,3-trimethyl-4-oxobutanoate
CID 13268643
2-hydroxy-2-methylbut-3-enoic acid;methyl 2-hydroxybut-3-enoate
CID 158597437
methyl 2-aminopent-4-enoate
CID 10877146
methyl 2-amino-3-methylpent-4-enoate
CID 15609996
dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
CID 105489493
(2S)-2-amino-3-[[(3R)-3-amino-4-methoxy-2-methyl-4-oxobutan-2-yl]disulfanyl]propanoic acid
CID 122677561
methyl (2S,3R)-2-amino-4,4-difluoro-3-(hydroxymethyl)-3-methylbutanoate
CID 156577390
methyl (2S)-2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutanoate
CID 113353339
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
methyl (2S)-2-amino-3,3-difluoropentanoate
CID 131230044
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3,3-dimethylpent-4-enoate?
The IUPAC name of methyl 2-amino-3,3-dimethylpent-4-enoate (CID 22592920) is methyl 2-amino-3,3-dimethylpent-4-enoate.
What is the SMILES notation for methyl 2-amino-3,3-dimethylpent-4-enoate?
The canonical SMILES for methyl 2-amino-3,3-dimethylpent-4-enoate is C=CC(C)(C)C(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-3,3-dimethylpent-4-enoate?
The InChIKey is XSCYPVMDZRZRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-8(2,3)6(9)7(10)11-4/h5-6H,1,9H2,2-4H3.
What are the key properties of methyl 2-amino-3,3-dimethylpent-4-enoate?
methyl 2-amino-3,3-dimethylpent-4-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3,3-dimethylpent-4-enoate is sourced from PubChem (CID 22592920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).