methyl (2S)-2-amino-2-methylpent-4-enoate

C7H13NO2 — CID 10261200

IUPACmethyl (2S)-2-amino-2-methylpent-4-enoate
SMILESC=CC[C@](C)(N)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-5-7(2,8)6(9)10-3/h4H,1,5,8H2,2-3H3/t7-/m0/s1
InChIKeyCKALQONYAVQDGR-ZETCQYMHSA-N
MW143.19 g/mol
LogP0.45
Rot. Bonds3

About methyl (2S)-2-amino-2-methylpent-4-enoate

methyl (2S)-2-amino-2-methylpent-4-enoate (PubChem CID 10261200) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-methylpent-4-enoate
PubChem CID10261200
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl (2S)-2-amino-2-methylpent-4-enoate
SMILESC=CC[C@](C)(N)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-5-7(2,8)6(9)10-3/h4H,1,5,8H2,2-3H3/t7-/m0/s1
InChIKeyCKALQONYAVQDGR-ZETCQYMHSA-N
XLogP0.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.45
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 2-amino-2-methylpent-4-enoate
CID 10103394
methyl 2-(hydroxymethyl)-2-methylpent-4-enoate
CID 18728417
methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437
methyl (2R)-2-amino-2-(sulfanylmethyl)pent-4-enoate
CID 134988201
methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate
CID 58606445
methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate
CID 45086744
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
tetramethyl (6E)-dodeca-1,6,11-triene-3,3,8,8-tetracarboxylate
CID 11349994
methyl (2S)-2-ethyl-2-propylpent-4-enoate
CID 642266
methyl (2S)-2-(aziridin-1-yl)-2-methylpent-4-enoate
CID 163655825
methyl 2-methyl-2-(1,2,2-trifluoroethyl)pent-4-enoate
CID 138473241
dimethyl 2-(2-oxopropyl)-2-prop-2-enylpropanedioate
CID 46895391

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-methylpent-4-enoate?
The IUPAC name of methyl (2S)-2-amino-2-methylpent-4-enoate (CID 10261200) is methyl (2S)-2-amino-2-methylpent-4-enoate.
What is the SMILES notation for methyl (2S)-2-amino-2-methylpent-4-enoate?
The canonical SMILES for methyl (2S)-2-amino-2-methylpent-4-enoate is C=CC[C@](C)(N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-amino-2-methylpent-4-enoate?
The InChIKey is CKALQONYAVQDGR-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-7(2,8)6(9)10-3/h4H,1,5,8H2,2-3H3/t7-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-methylpent-4-enoate?
methyl (2S)-2-amino-2-methylpent-4-enoate has a molecular weight of 143.19 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-methylpent-4-enoate is sourced from PubChem (CID 10261200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).