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

C15H21NO2 — CID 146162572

IUPACethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate
SMILESCCOC(=O)[C@@](N)(CC)C/C=C/c1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-15(16,14(17)18-4-2)12-8-11-13-9-6-5-7-10-13/h5-11H,3-4,12,16H2,1-2H3/b11-8+/t15-/m1/s1
InChIKeyNOIDRGWNNIEOOH-KUCQQTCKSA-N
MW247.34 g/mol
LogP2.76
Rot. Bonds6

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

ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate (PubChem CID 146162572) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate
PubChem CID146162572
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate
SMILESCCOC(=O)[C@@](N)(CC)C/C=C/c1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-15(16,14(17)18-4-2)12-8-11-13-9-6-5-7-10-13/h5-11H,3-4,12,16H2,1-2H3/b11-8+/t15-/m1/s1
InChIKeyNOIDRGWNNIEOOH-KUCQQTCKSA-N
XLogP2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.76
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-ethyl-5-phenylpent-4-enoate?
The IUPAC name of ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate (CID 146162572) is ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate.
What is the SMILES notation for ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate?
The canonical SMILES for ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate is CCOC(=O)[C@@](N)(CC)C/C=C/c1ccccc1.
What is the InChIKey of ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate?
The InChIKey is NOIDRGWNNIEOOH-KUCQQTCKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(16,14(17)18-4-2)12-8-11-13-9-6-5-7-10-13/h5-11H,3-4,12,16H2,1-2H3/b11-8+/t15-/m1/s1.
What are the key properties of ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate?
ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate has a molecular weight of 247.34 g/mol, XLogP of 2.76, 6 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-ethyl-5-phenylpent-4-enoate is sourced from PubChem (CID 146162572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).