2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid

C11H13NO2 — CID 99726876

IUPAC2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
SMILESO=C(O)CNC/C=C\c1ccccc1
InChIInChI=1S/C11H13NO2/c13-11(14)9-12-8-4-7-10-5-2-1-3-6-10/h1-7,12H,8-9H2,(H,13,14)/b7-4-
InChIKeyYSBURYLCYVEEJH-DAXSKMNVSA-N
MW191.23 g/mol
LogP1.37
Rot. Bonds5

About 2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid

2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid (PubChem CID 99726876) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
PubChem CID99726876
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
SMILESO=C(O)CNC/C=C\c1ccccc1
InChIInChI=1S/C11H13NO2/c13-11(14)9-12-8-4-7-10-5-2-1-3-6-10/h1-7,12H,8-9H2,(H,13,14)/b7-4-
InChIKeyYSBURYLCYVEEJH-DAXSKMNVSA-N
XLogP1.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-phenylprop-2-enyl]amino]propanoic acid;hydrochloride
CID 163331518
4-(3-phenylprop-2-enylamino)butanoic acid
CID 57368017
2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 88779532
2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 70585759
(E)-5-phenylpent-4-enoic acid
CID 5370650
3-phenylprop-2-enylcarbamothioic S-acid
CID 173357040
1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 6198651
3-methyl-N-[(E)-3-phenylprop-2-enyl]but-2-en-1-amine
CID 103527857
1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride
CID 78411509
4-methylsulfanyl-2-[[2-[[(E)-3-phenylprop-2-enyl]amino]acetyl]amino]butanoic acid
CID 67610259
1-phenyl-3-(3-phenylprop-2-enyl)urea
CID 67941809
3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide
CID 112688565

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid?
The IUPAC name of 2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid (CID 99726876) is 2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid.
What is the SMILES notation for 2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid?
The canonical SMILES for 2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid is O=C(O)CNC/C=C\c1ccccc1.
What is the InChIKey of 2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid?
The InChIKey is YSBURYLCYVEEJH-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(14)9-12-8-4-7-10-5-2-1-3-6-10/h1-7,12H,8-9H2,(H,13,14)/b7-4-.
What are the key properties of 2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid?
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid has a molecular weight of 191.23 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid is sourced from PubChem (CID 99726876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).