(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid

C12H15NO2 — CID 18957413

IUPAC(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid
SMILESCC(C(=O)O)C(N)/C=C/c1ccccc1
InChIInChI=1S/C12H15NO2/c1-9(12(14)15)11(13)8-7-10-5-3-2-4-6-10/h2-9,11H,13H2,1H3,(H,14,15)/b8-7+
InChIKeyDLBACTOTJXCIAD-BQYQJAHWSA-N
MW205.26 g/mol
LogP1.75
Rot. Bonds4

About (E)-3-amino-2-methyl-5-phenylpent-4-enoic acid

(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid (PubChem CID 18957413) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (E)-3-amino-2-methyl-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid
PubChem CID18957413
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid
SMILESCC(C(=O)O)C(N)/C=C/c1ccccc1
InChIInChI=1S/C12H15NO2/c1-9(12(14)15)11(13)8-7-10-5-3-2-4-6-10/h2-9,11H,13H2,1H3,(H,14,15)/b8-7+
InChIKeyDLBACTOTJXCIAD-BQYQJAHWSA-N
XLogP1.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
phenyl (E)-2-methyl-4-phenylbut-3-enoate
CID 11482156
(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
CID 15271770
(2S,3S,4S)-2-methyl-3-[(E)-2-phenylethenyl]-4-(trifluoromethyl)hexanoic acid
CID 102104357
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
(E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-6-en-3-one
CID 12031058
2,4-dimethyl-6-phenylhexa-2,5-dienoic acid
CID 69226744
benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
CID 134904469
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
CID 63733129

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-methyl-5-phenylpent-4-enoic acid?
The IUPAC name of (E)-3-amino-2-methyl-5-phenylpent-4-enoic acid (CID 18957413) is (E)-3-amino-2-methyl-5-phenylpent-4-enoic acid.
What is the SMILES notation for (E)-3-amino-2-methyl-5-phenylpent-4-enoic acid?
The canonical SMILES for (E)-3-amino-2-methyl-5-phenylpent-4-enoic acid is CC(C(=O)O)C(N)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-amino-2-methyl-5-phenylpent-4-enoic acid?
The InChIKey is DLBACTOTJXCIAD-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(12(14)15)11(13)8-7-10-5-3-2-4-6-10/h2-9,11H,13H2,1H3,(H,14,15)/b8-7+.
What are the key properties of (E)-3-amino-2-methyl-5-phenylpent-4-enoic acid?
(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid has a molecular weight of 205.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-methyl-5-phenylpent-4-enoic acid is sourced from PubChem (CID 18957413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).