(E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid

C11H13NO3 — CID 103238117

IUPAC(E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid
SMILESO=C(O)/C=C/NCC(O)c1ccccc1
InChIInChI=1S/C11H13NO3/c13-10(8-12-7-6-11(14)15)9-4-2-1-3-5-9/h1-7,10,12-13H,8H2,(H,14,15)/b7-6+
InChIKeyFGWGWYSNCICZRZ-VOTSOKGWSA-N
MW207.23 g/mol
LogP0.91
Rot. Bonds5

About (E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid

(E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid (PubChem CID 103238117) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid
PubChem CID103238117
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid
SMILESO=C(O)/C=C/NCC(O)c1ccccc1
InChIInChI=1S/C11H13NO3/c13-10(8-12-7-6-11(14)15)9-4-2-1-3-5-9/h1-7,10,12-13H,8H2,(H,14,15)/b7-6+
InChIKeyFGWGWYSNCICZRZ-VOTSOKGWSA-N
XLogP0.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dihydroxyethylamino)prop-2-enoic acid
CID 175378330
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
1-phenylpropan-1-ol;3-phenylprop-2-enoic acid
CID 174889683
(E)-3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]prop-2-enoic acid
CID 103235361
2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
CID 43502422
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
3-hydroxy-4-[(2-hydroxy-2-phenylethyl)amino]butanoic acid
CID 103238121

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid?
The IUPAC name of (E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid (CID 103238117) is (E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid?
The canonical SMILES for (E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid is O=C(O)/C=C/NCC(O)c1ccccc1.
What is the InChIKey of (E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid?
The InChIKey is FGWGWYSNCICZRZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10(8-12-7-6-11(14)15)9-4-2-1-3-5-9/h1-7,10,12-13H,8H2,(H,14,15)/b7-6+.
What are the key properties of (E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid?
(E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid has a molecular weight of 207.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2-hydroxy-2-phenylethyl)amino]prop-2-enoic acid is sourced from PubChem (CID 103238117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).