(E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid

C12H15NO2 — CID 104830898

IUPAC(E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid
SMILESCCCc1ccc(/C=C(/N)C(=O)O)cc1
InChIInChI=1S/C12H15NO2/c1-2-3-9-4-6-10(7-5-9)8-11(13)12(14)15/h4-8H,2-3,13H2,1H3,(H,14,15)/b11-8+
InChIKeyYVHYSONIOZVHTN-DHZHZOJOSA-N
MW205.26 g/mol
LogP2.02
Rot. Bonds4

About (E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid

(E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid (PubChem CID 104830898) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid
PubChem CID104830898
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid
SMILESCCCc1ccc(/C=C(/N)C(=O)O)cc1
InChIInChI=1S/C12H15NO2/c1-2-3-9-4-6-10(7-5-9)8-11(13)12(14)15/h4-8H,2-3,13H2,1H3,(H,14,15)/b11-8+
InChIKeyYVHYSONIOZVHTN-DHZHZOJOSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetamide;propylbenzene
CID 142238516
ethane;4-propylbenzoic acid
CID 91047964
hexanoic acid;4-propylbenzaldehyde
CID 175009771
1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol
CID 174962517
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
1-(1-phenylprop-1-en-2-yl)-4-propylbenzene
CID 57256038
(E)-3-(4-propylphenyl)-N'-[(E)-3-(4-propylphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406109
(E)-2-difluoroboranyloxy-1,3-bis(4-propylphenyl)prop-2-en-1-one
CID 132526772
4-propylthiobenzaldehyde
CID 19091704
3-[4-(4-propylphenoxy)phenyl]prop-2-enoic acid
CID 20989085
2-methyl-1-(4-propylphenyl)prop-1-en-1-amine
CID 170745986
4-[(E)-2-(4-propylphenyl)ethenyl]aniline
CID 143367381

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid (CID 104830898) is (E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid is CCCc1ccc(/C=C(/N)C(=O)O)cc1.
What is the InChIKey of (E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid?
The InChIKey is YVHYSONIOZVHTN-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-3-9-4-6-10(7-5-9)8-11(13)12(14)15/h4-8H,2-3,13H2,1H3,(H,14,15)/b11-8+.
What are the key properties of (E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid?
(E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid is sourced from PubChem (CID 104830898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).