(E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid

C11H13NO3 — CID 143268431

IUPAC(E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccc(NCCO)c1
InChIInChI=1S/C11H13NO3/c13-7-6-12-10-3-1-2-9(8-10)4-5-11(14)15/h1-5,8,12-13H,6-7H2,(H,14,15)/b5-4+
InChIKeyIPYBYEJQPFGUBG-SNAWJCMRSA-N
MW207.23 g/mol
LogP1.19
Rot. Bonds5

About (E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid

(E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid (PubChem CID 143268431) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid
PubChem CID143268431
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccc(NCCO)c1
InChIInChI=1S/C11H13NO3/c13-7-6-12-10-3-1-2-9(8-10)4-5-11(14)15/h1-5,8,12-13H,6-7H2,(H,14,15)/b5-4+
InChIKeyIPYBYEJQPFGUBG-SNAWJCMRSA-N
XLogP1.19
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 ≤ 51.19
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

2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid
CID 74935363
3-[3-(propanoylamino)phenyl]prop-2-enoic acid
CID 76907771
(E)-3-[3-(sulfamoylamino)phenyl]prop-2-enoic acid
CID 114959003
(E)-3-[3-(methylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340518
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid
CID 72524578
(E)-3-[3-(propylsulfonylamino)phenyl]prop-2-enoic acid
CID 78971626
(E)-3-[3-(4-aminobutanoylamino)phenyl]prop-2-enoic acid
CID 115339757
3-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]prop-2-enoic acid
CID 168559932
3-[3-[(2-ethoxy-2-oxoethyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 76906569
(E)-3-[3-[(2,5-dichlorobenzoyl)amino]phenyl]prop-2-enoic acid
CID 91682890
(E)-3-[3-(phenylmethoxycarbonylamino)phenyl]prop-2-enoic acid
CID 115339094
(E)-3-[3-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]prop-2-enoic acid
CID 115867128

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid (CID 143268431) is (E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1cccc(NCCO)c1.
What is the InChIKey of (E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid?
The InChIKey is IPYBYEJQPFGUBG-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H13NO3/c13-7-6-12-10-3-1-2-9(8-10)4-5-11(14)15/h1-5,8,12-13H,6-7H2,(H,14,15)/b5-4+.
What are the key properties of (E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid?
(E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid is sourced from PubChem (CID 143268431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).