(E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid

C14H19NO2 — CID 104681285

IUPAC(E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid
SMILESNCCCC(C/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO2/c15-11-5-10-13(14(16)17)9-4-8-12-6-2-1-3-7-12/h1-4,6-8,13H,5,9-11,15H2,(H,16,17)/b8-4+
InChIKeyUANQNHKXGGFHBZ-XBXARRHUSA-N
MW233.31 g/mol
LogP2.53
Rot. Bonds7

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

(E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid (PubChem CID 104681285) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid
PubChem CID104681285
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid
SMILESNCCCC(C/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO2/c15-11-5-10-13(14(16)17)9-4-8-12-6-2-1-3-7-12/h1-4,6-8,13H,5,9-11,15H2,(H,16,17)/b8-4+
InChIKeyUANQNHKXGGFHBZ-XBXARRHUSA-N
XLogP2.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-2-[(E)-3-phenylprop-2-enyl]hexanoic acid
CID 104681542
2-(2-aminoethyl)-5-(4-hydroxyphenyl)pent-4-enoic acid
CID 91487972
19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine
CID 139723729
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
3-ethyl-6-phenylhex-5-en-2-one
CID 76864530
(E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid
CID 68653712
2-(3-aminopropyl)-5-phenoxypentanoic acid
CID 104681090
6-phenyl-4-(2-phenylethenyl)hex-5-en-1-amine
CID 139723158
(E)-2-ethenyl-5-phenylpent-4-enoic acid
CID 101258339
2-[(3-bromophenyl)methyl]-5-phenylpent-4-enoic acid
CID 79422063
2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid
CID 79422053
(Z)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)-6-phenylhex-5-enoic acid
CID 70187156

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid?
The IUPAC name of (E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid (CID 104681285) is (E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid.
What is the SMILES notation for (E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid?
The canonical SMILES for (E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid is NCCCC(C/C=C/c1ccccc1)C(=O)O.
What is the InChIKey of (E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid?
The InChIKey is UANQNHKXGGFHBZ-XBXARRHUSA-N. The full InChI is InChI=1S/C14H19NO2/c15-11-5-10-13(14(16)17)9-4-8-12-6-2-1-3-7-12/h1-4,6-8,13H,5,9-11,15H2,(H,16,17)/b8-4+.
What are the key properties of (E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid?
(E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid is sourced from PubChem (CID 104681285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).