methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate

C15H21NO2 — CID 134918310

IUPACmethyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate
SMILESCOC(=O)[C@@](N)(C/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C15H21NO2/c1-12(2)15(16,14(17)18-3)11-7-10-13-8-5-4-6-9-13/h4-10,12H,11,16H2,1-3H3/b10-7+/t15-/m1/s1
InChIKeyXHXQDDLTXQVNHF-JOZWUWCOSA-N
MW247.34 g/mol
LogP2.62
Rot. Bonds5

About methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate

methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate (PubChem CID 134918310) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate
PubChem CID134918310
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate
SMILESCOC(=O)[C@@](N)(C/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C15H21NO2/c1-12(2)15(16,14(17)18-3)11-7-10-13-8-5-4-6-9-13/h4-10,12H,11,16H2,1-3H3/b10-7+/t15-/m1/s1
InChIKeyXHXQDDLTXQVNHF-JOZWUWCOSA-N
XLogP2.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (E)-2-amino-5-phenylpent-4-enoate
CID 13635383
Methyl 1-amino-3-benzylcyclobutane-1-carboxylate hydrochloride
CID 165744996
(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 (E)-2-methyl-5-phenylpent-4-enoate
CID 13308267
methyl (2R)-2-amino-5-phenylpent-4-ynoate
CID 13635388
Methyl 2-amino-2-benzylpentanoate
CID 19793516

Frequently Asked Questions

What is the IUPAC name of methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate?
The IUPAC name of methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate (CID 134918310) is methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate.
What is the SMILES notation for methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate?
The canonical SMILES for methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate is COC(=O)[C@@](N)(C/C=C/c1ccccc1)C(C)C.
What is the InChIKey of methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate?
The InChIKey is XHXQDDLTXQVNHF-JOZWUWCOSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)15(16,14(17)18-3)11-7-10-13-8-5-4-6-9-13/h4-10,12H,11,16H2,1-3H3/b10-7+/t15-/m1/s1.
What are the key properties of methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate?
methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate has a molecular weight of 247.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate is sourced from PubChem (CID 134918310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).