3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid

C24H31NO3 — CID 23121299

IUPAC3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid
SMILESC/C(=C/CNCCC(=O)O)c1ccc(OCCCCCc2ccccc2)cc1
InChIInChI=1S/C24H31NO3/c1-20(15-17-25-18-16-24(26)27)22-11-13-23(14-12-22)28-19-7-3-6-10-21-8-4-2-5-9-21/h2,4-5,8-9,11-15,25H,3,6-7,10,16-19H2,1H3,(H,26,27)/b20-15-
InChIKeyHTHAHYGRKLNVRX-HKWRFOASSA-N
MW381.52 g/mol
LogP4.95
Rot. Bonds13

About 3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid

3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid (PubChem CID 23121299) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid
PubChem CID23121299
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid
SMILESC/C(=C/CNCCC(=O)O)c1ccc(OCCCCCc2ccccc2)cc1
InChIInChI=1S/C24H31NO3/c1-20(15-17-25-18-16-24(26)27)22-11-13-23(14-12-22)28-19-7-3-6-10-21-8-4-2-5-9-21/h2,4-5,8-9,11-15,25H,3,6-7,10,16-19H2,1H3,(H,26,27)/b20-15-
InChIKeyHTHAHYGRKLNVRX-HKWRFOASSA-N
XLogP4.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(Z)-3-[4-(4-phenylbutoxy)phenyl]but-2-enyl]amino]propanoic acid
CID 23121381
chloro 3-[[(E)-3-[4-(3-phenylpropyl)phenyl]but-2-enyl]amino]propanoate
CID 142758004
3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoic acid
CID 67485301
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
3-[3-(4-hexoxyphenyl)propylamino]propanoic acid;hydrochloride
CID 23121390
3-[[4-[7-(4-pentylphenoxy)heptyl]benzoyl]amino]propanoic acid
CID 67486020
4-(5-phenylpentoxy)benzamide
CID 142267536
4-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]butanoic acid
CID 10157665
3-[3-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]propylamino]propanoic acid
CID 23121054
3-(6-phenylhexylamino)propanoic acid
CID 19811158
3-[[(E)-3-[4-(4-phenylbutoxy)phenyl]prop-2-enoyl]amino]propanoic acid
CID 10109549
3-[3-[2-chloro-4-(4-phenylbutoxy)phenyl]prop-2-enylamino]propanoic acid;hydrochloride
CID 66853331

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid?
The IUPAC name of 3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid (CID 23121299) is 3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid?
The canonical SMILES for 3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid is C/C(=C/CNCCC(=O)O)c1ccc(OCCCCCc2ccccc2)cc1.
What is the InChIKey of 3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid?
The InChIKey is HTHAHYGRKLNVRX-HKWRFOASSA-N. The full InChI is InChI=1S/C24H31NO3/c1-20(15-17-25-18-16-24(26)27)22-11-13-23(14-12-22)28-19-7-3-6-10-21-8-4-2-5-9-21/h2,4-5,8-9,11-15,25H,3,6-7,10,16-19H2,1H3,(H,26,27)/b20-15-.
What are the key properties of 3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid?
3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid has a molecular weight of 381.52 g/mol, XLogP of 4.95, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-3-[4-(5-phenylpentoxy)phenyl]but-2-enyl]amino]propanoic acid is sourced from PubChem (CID 23121299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).