ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate

C16H23NO2 — CID 146162282

IUPACethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate
SMILESCCOC(=O)[C@](N)(C/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C16H23NO2/c1-4-19-15(18)16(17,13(2)3)12-8-11-14-9-6-5-7-10-14/h5-11,13H,4,12,17H2,1-3H3/b11-8+/t16-/m0/s1
InChIKeyAXHRPMVYUJPSHK-KXKDPZRNSA-N
MW261.37 g/mol
LogP3.01
Rot. Bonds6

About ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate

ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate (PubChem CID 146162282) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate.

Molecular Properties

Compound Nameethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate
PubChem CID146162282
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate
SMILESCCOC(=O)[C@](N)(C/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C16H23NO2/c1-4-19-15(18)16(17,13(2)3)12-8-11-14-9-6-5-7-10-14/h5-11,13H,4,12,17H2,1-3H3/b11-8+/t16-/m0/s1
InChIKeyAXHRPMVYUJPSHK-KXKDPZRNSA-N
XLogP3.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (E)-2-amino-5-phenylpent-4-enoate
CID 13635383
Ethyl 2-amino-2-methyl-3-phenylpropanoate
CID 13860313
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
ethyl (2S)-2-amino-2-methyl-3-phenylpropanoate
CID 10443006
Methyl 2-amino-5-(2,4-difluorophenyl)-2-methyl-5-(4-propan-2-ylphenyl)pent-4-enoate
CID 54234847
3-(4-Fluorophenyl)propyl 2-amino-3-methylbutanoate
CID 130220273
methyl (E)-2-amino-5-(2,4-difluorophenyl)-2-methyl-5-(4-propan-2-ylphenyl)pent-4-enoate
CID 140410231
3-(4-fluorophenyl)propyl (2S)-2-amino-3-methylbutanoate
CID 156757723
ethyl (2S)-2-amino-2-benzylpent-4-enoate
CID 11231018

Frequently Asked Questions

What is the IUPAC name of ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate?
The IUPAC name of ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate (CID 146162282) is ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate.
What is the SMILES notation for ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate?
The canonical SMILES for ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate is CCOC(=O)[C@](N)(C/C=C/c1ccccc1)C(C)C.
What is the InChIKey of ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate?
The InChIKey is AXHRPMVYUJPSHK-KXKDPZRNSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-19-15(18)16(17,13(2)3)12-8-11-14-9-6-5-7-10-14/h5-11,13H,4,12,17H2,1-3H3/b11-8+/t16-/m0/s1.
What are the key properties of ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate?
ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate has a molecular weight of 261.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate is sourced from PubChem (CID 146162282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).