tert-butyl 2-amino-3-phenylpent-4-enoate

C15H21NO2 — CID 154715254

IUPACtert-butyl 2-amino-3-phenylpent-4-enoate
SMILESC=CC(c1ccccc1)C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-5-12(11-9-7-6-8-10-11)13(16)14(17)18-15(2,3)4/h5-10,12-13H,1,16H2,2-4H3
InChIKeyCRHOBZDPGYVKHN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl 2-amino-3-phenylpent-4-enoate

tert-butyl 2-amino-3-phenylpent-4-enoate (PubChem CID 154715254) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is tert-butyl 2-amino-3-phenylpent-4-enoate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-phenylpent-4-enoate
PubChem CID154715254
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametert-butyl 2-amino-3-phenylpent-4-enoate
SMILESC=CC(c1ccccc1)C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-5-12(11-9-7-6-8-10-11)13(16)14(17)18-15(2,3)4/h5-10,12-13H,1,16H2,2-4H3
InChIKeyCRHOBZDPGYVKHN-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.63
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

(3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutanoic acid
CID 122198711
tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate
CID 54159083
tert-butyl (2R,3R)-2-isoquinolin-1-yl-3-phenylpent-4-enoate
CID 134960104
tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
CID 25140708
4-O-tert-butyl 1-O-methyl 2-amino-3-phenylbutanedioate
CID 78069765
ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate
CID 14120230
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
tert-butyl 3-chloro-3-oxo-2-phenylpropanoate
CID 20529658
(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylbutanoic acid
CID 174297435
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
tert-butyl (2R,3S)-2-(benzhydrylideneamino)-3-(3-chlorophenyl)pent-4-enoate
CID 101259391
tert-butyl (2R)-2-(but-3-enoylamino)-2-phenylacetate
CID 115539441

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-phenylpent-4-enoate?
The IUPAC name of tert-butyl 2-amino-3-phenylpent-4-enoate (CID 154715254) is tert-butyl 2-amino-3-phenylpent-4-enoate.
What is the SMILES notation for tert-butyl 2-amino-3-phenylpent-4-enoate?
The canonical SMILES for tert-butyl 2-amino-3-phenylpent-4-enoate is C=CC(c1ccccc1)C(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-3-phenylpent-4-enoate?
The InChIKey is CRHOBZDPGYVKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-12(11-9-7-6-8-10-11)13(16)14(17)18-15(2,3)4/h5-10,12-13H,1,16H2,2-4H3.
What are the key properties of tert-butyl 2-amino-3-phenylpent-4-enoate?
tert-butyl 2-amino-3-phenylpent-4-enoate has a molecular weight of 247.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-phenylpent-4-enoate is sourced from PubChem (CID 154715254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).