2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid

C14H21NO5 — CID 6440189

IUPAC2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C/C(=O)O)cc1.OCCNCCO
InChIInChI=1S/C10H10O3.C4H11NO2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;6-3-1-5-2-4-7/h2-7H,1H3,(H,11,12);5-7H,1-4H2/b7-4+;
InChIKeyYEAYGXLRPMKZBP-KQGICBIGSA-N
MW283.32 g/mol
LogP0.35
Rot. Bonds7

About 2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid

2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 6440189) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID6440189
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C/C(=O)O)cc1.OCCNCCO
InChIInChI=1S/C10H10O3.C4H11NO2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;6-3-1-5-2-4-7/h2-7H,1H3,(H,11,12);5-7H,1-4H2/b7-4+;
InChIKeyYEAYGXLRPMKZBP-KQGICBIGSA-N
XLogP0.35
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Bisoprolol monofumarate
CID 6917733
2-(Acetylamino)-3-(4-methoxyphenyl)acrylic acid
CID 1550409
(2S)-2-[3-(4-methoxyphenyl)prop-2-enamido]-3-methylbutanoic acid
CID 2517552
Methyl 3-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-2-propenoate
CID 13040896
(E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
CID 5702914
1-{[2-(2-Methylphenoxy)ethyl]amino}-2-propanol ethanedioate (salt)
CID 2977842
(2S)-2-[3-(4-methoxyphenyl)prop-2-enamido]propanoic acid
CID 7909375
Ferulinolol
CID 10450597
Cinnamamide, N-(2-hydroxyethyl)-4-methoxy-
CID 5355134
Cinnamamide, 3,4-dimethoxy-N-(2-hydroxyethyl)-
CID 5989673
Cinnamamide, N-(2-hydroxyethyl)-2-methoxy-
CID 6434361
methyl N-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]glycinate
CID 2186562

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid (CID 6440189) is 2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C=C/C(=O)O)cc1.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is YEAYGXLRPMKZBP-KQGICBIGSA-N. The full InChI is InChI=1S/C10H10O3.C4H11NO2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;6-3-1-5-2-4-7/h2-7H,1H3,(H,11,12);5-7H,1-4H2/b7-4+;.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid?
2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 283.32 g/mol, XLogP of 0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;(E)-3-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 6440189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).