ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine

C92H119N5O26 — CID 159972185

IUPACethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine
SMILESCC(C)COC(C)ON.CCOC(=O)/C=C/c1ccc(CO)cn1.CCOC(=O)CCc1ccc(CO)cn1.COC(=O)/C=C/c1ccc(CO)cc1.COC(=O)/C=C/c1ccc(CO)nc1.COC(=O)/C=C/c1cccc(CO)c1.COC(=O)CCc1ccc(CO)cc1.COC(=O)CCc1ccc(CO)nc1.COC(=O)CCc1cccc(CO)c1
InChIInChI=1S/C11H15NO3.C11H13NO3.C11H14O3.C11H12O3.C11H14O3.C11H12O3.C10H13NO3.C10H11NO3.C6H15NO2/c2*1-2-15-11(14)6-5-10-4-3-9(8-13)7-12-10;2*1-14-11(13)7-6-9-2-4-10(8-12)5-3-9;2*1-14-11(13)6-5-9-3-2-4-10(7-9)8-12;2*1-14-10(13)5-3-8-2-4-9(7-12)11-6-8;1-5(2)4-8-6(3)9-7/h3-4,7,13H,2,5-6,8H2,1H3;3-7,13H,2,8H2,1H3;2-5,12H,6-8H2,1H3;2-7,12H,8H2,1H3;2-4,7,12H,5-6,8H2,1H3;2-7,12H,8H2,1H3;2,4,6,12H,3,5,7H2,1H3;2-6,12H,7H2,1H3;5-6H,4,7H2,1-3H3/b;6-5+;;7-6+;;6-5+;;5-3+;
InChIKeyOEROVZJNIXVLSJ-VZNKFVRISA-N
MW1710.97 g/mol
LogP9.85
Rot. Bonds34

About ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine

ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine (PubChem CID 159972185) has the molecular formula C92H119N5O26 and a molecular weight of 1710.97 g/mol. Its IUPAC name is ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine.

Molecular Properties

Compound Nameethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine
PubChem CID159972185
Molecular FormulaC92H119N5O26
Molecular Weight1710.97 g/mol
Exact Mass1709.81
IUPAC Nameethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine
SMILESCC(C)COC(C)ON.CCOC(=O)/C=C/c1ccc(CO)cn1.CCOC(=O)CCc1ccc(CO)cn1.COC(=O)/C=C/c1ccc(CO)cc1.COC(=O)/C=C/c1ccc(CO)nc1.COC(=O)/C=C/c1cccc(CO)c1.COC(=O)CCc1ccc(CO)cc1.COC(=O)CCc1ccc(CO)nc1.COC(=O)CCc1cccc(CO)c1
InChIInChI=1S/C11H15NO3.C11H13NO3.C11H14O3.C11H12O3.C11H14O3.C11H12O3.C10H13NO3.C10H11NO3.C6H15NO2/c2*1-2-15-11(14)6-5-10-4-3-9(8-13)7-12-10;2*1-14-11(13)7-6-9-2-4-10(8-12)5-3-9;2*1-14-11(13)6-5-9-3-2-4-10(7-9)8-12;2*1-14-10(13)5-3-8-2-4-9(7-12)11-6-8;1-5(2)4-8-6(3)9-7/h3-4,7,13H,2,5-6,8H2,1H3;3-7,13H,2,8H2,1H3;2-5,12H,6-8H2,1H3;2-7,12H,8H2,1H3;2-4,7,12H,5-6,8H2,1H3;2-7,12H,8H2,1H3;2,4,6,12H,3,5,7H2,1H3;2-6,12H,7H2,1H3;5-6H,4,7H2,1-3H3/b;6-5+;;7-6+;;6-5+;;5-3+;
InChIKeyOEROVZJNIXVLSJ-VZNKFVRISA-N
XLogP9.85
TPSA468.28 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001710.97
LogP ≤ 59.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine
CID 158696171
methyl 3-[3-(hydroxymethyl)phenyl]prop-2-enoate
CID 68585193
(E)-3-[3-(hydroxymethyl)phenyl]-N-[1-(2-methylpropoxy)ethoxy]prop-2-enamide
CID 59145612
methyl 3-(3-propylphenyl)prop-2-enoate
CID 139892628
ethyl 3-[4-[2-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)phenoxy]phenyl]propanoate
CID 72966722
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
methyl (E)-3-[3-(aminomethyl)phenyl]prop-2-enoate;hydrochloride
CID 66927514
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate
CID 97305033
methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate
CID 5373640
ethyl (E)-3-[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]prop-2-enoate
CID 34481370
methyl 3-[4-[2-hydroxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]phenyl]propanoate
CID 11152473
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine?
The IUPAC name of ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine (CID 159972185) is ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine.
What is the SMILES notation for ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine?
The canonical SMILES for ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine is CC(C)COC(C)ON.CCOC(=O)/C=C/c1ccc(CO)cn1.CCOC(=O)CCc1ccc(CO)cn1.COC(=O)/C=C/c1ccc(CO)cc1.COC(=O)/C=C/c1ccc(CO)nc1.COC(=O)/C=C/c1cccc(CO)c1.COC(=O)CCc1ccc(CO)cc1.COC(=O)CCc1ccc(CO)nc1.COC(=O)CCc1cccc(CO)c1.
What is the InChIKey of ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine?
The InChIKey is OEROVZJNIXVLSJ-VZNKFVRISA-N. The full InChI is InChI=1S/C11H15NO3.C11H13NO3.C11H14O3.C11H12O3.C11H14O3.C11H12O3.C10H13NO3.C10H11NO3.C6H15NO2/c2*1-2-15-11(14)6-5-10-4-3-9(8-13)7-12-10;2*1-14-11(13)7-6-9-2-4-10(8-12)5-3-9;2*1-14-11(13)6-5-9-3-2-4-10(7-9)8-12;2*1-14-10(13)5-3-8-2-4-9(7-12)11-6-8;1-5(2)4-8-6(3)9-7/h3-4,7,13H,2,5-6,8H2,1H3;3-7,13H,2,8H2,1H3;2-5,12H,6-8H2,1H3;2-7,12H,8H2,1H3;2-4,7,12H,5-6,8H2,1H3;2-7,12H,8H2,1H3;2,4,6,12H,3,5,7H2,1H3;2-6,12H,7H2,1H3;5-6H,4,7H2,1-3H3/b;6-5+;;7-6+;;6-5+;;5-3+;.
What are the key properties of ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine?
ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine has a molecular weight of 1710.97 g/mol, XLogP of 9.85, 34 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;ethyl (E)-3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enoate;methyl 3-[3-(hydroxymethyl)phenyl]propanoate;methyl 3-[4-(hydroxymethyl)phenyl]propanoate;methyl (E)-3-[3-(hydroxymethyl)phenyl]prop-2-enoate;methyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate;methyl 3-[6-(hydroxymethyl)-3-pyridinyl]propanoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;O-[1-(2-methylpropoxy)ethyl]hydroxylamine is sourced from PubChem (CID 159972185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).