ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate

C14H19NO2 — CID 101333144

IUPACethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate
SMILESCCOC(=O)[C@](C)(N)C/C=C/c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-17-13(16)14(2,15)11-7-10-12-8-5-4-6-9-12/h4-10H,3,11,15H2,1-2H3/b10-7+/t14-/m1/s1
InChIKeyHPYRKDSBMREPBG-DNGMOHDESA-N
MW233.31 g/mol
LogP2.37
Rot. Bonds5

About ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate

ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate (PubChem CID 101333144) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate
PubChem CID101333144
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate
SMILESCCOC(=O)[C@](C)(N)C/C=C/c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-17-13(16)14(2,15)11-7-10-12-8-5-4-6-9-12/h4-10H,3,11,15H2,1-2H3/b10-7+/t14-/m1/s1
InChIKeyHPYRKDSBMREPBG-DNGMOHDESA-N
XLogP2.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl (4E)-5-phenylpent-4-enoate
CID 10998115
methyl (E)-2-amino-5-phenylpent-4-enoate
CID 13635383
Ethyl 2-amino-2-methyl-3-phenylpropanoate
CID 13860313
Ethyl 2-amino-2-methyl-3-phenylpropanoate hydrochloride
CID 72824272
(E,2S)-2-amino-5-(2-fluorophenyl)-2-methylpent-4-enoic acid
CID 135045378
(E,2S)-2-amino-5-(4-fluorophenyl)-2-methylpent-4-enoic acid
CID 135045474
(E,2S)-2-amino-5-(3-fluorophenyl)-2-methylpent-4-enoic acid
CID 135045602
methyl (E,2S,3R)-2-amino-5-(4-fluorophenyl)-2,3-dimethylpent-4-enoate
CID 146167422
methyl (E,2S)-2-amino-5-(4-fluorophenyl)-2-methyl-3-methylidenepent-4-enoate
CID 164673302
tert-butyl (E,2S,3S)-2-amino-5-(2-fluorophenyl)-2,3-dimethylpent-4-enoate
CID 166440331
tert-butyl (E,2R,3S)-2-amino-5-(2-fluorophenyl)-2,3-dimethylpent-4-enoate
CID 166440582
methyl (2R)-2-amino-5-phenylpent-4-ynoate
CID 13635388

Frequently Asked Questions

What is the IUPAC name of ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate?
The IUPAC name of ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate (CID 101333144) is ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate.
What is the SMILES notation for ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate?
The canonical SMILES for ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate is CCOC(=O)[C@](C)(N)C/C=C/c1ccccc1.
What is the InChIKey of ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate?
The InChIKey is HPYRKDSBMREPBG-DNGMOHDESA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-13(16)14(2,15)11-7-10-12-8-5-4-6-9-12/h4-10H,3,11,15H2,1-2H3/b10-7+/t14-/m1/s1.
What are the key properties of ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate?
ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate has a molecular weight of 233.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate is sourced from PubChem (CID 101333144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).