methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate

C10H11NO3 — CID 42547621

IUPACmethyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@@H](O)c1ccncc1
InChIInChI=1S/C10H11NO3/c1-7(10(13)14-2)9(12)8-3-5-11-6-4-8/h3-6,9,12H,1H2,2H3/t9-/m1/s1
InChIKeyIELXRUKORPMBPJ-SECBINFHSA-N
MW193.20 g/mol
LogP0.84
Rot. Bonds3

About methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate

methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate (PubChem CID 42547621) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate
PubChem CID42547621
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@@H](O)c1ccncc1
InChIInChI=1S/C10H11NO3/c1-7(10(13)14-2)9(12)8-3-5-11-6-4-8/h3-6,9,12H,1H2,2H3/t9-/m1/s1
InChIKeyIELXRUKORPMBPJ-SECBINFHSA-N
XLogP0.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[hydroxy-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]prop-2-enoate
CID 132563470
methyl 2-[hydroxy-[3-[3-(1-hydroxy-2-methoxycarbonylprop-2-enyl)phenyl]phenyl]methyl]prop-2-enoate
CID 15040466
methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate
CID 11207139
methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate
CID 155255146
methyl 2-[(3-bromo-2-pyridinyl)-hydroxymethyl]prop-2-enoate
CID 3786535
methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 28595486
propan-2-yl 2-[hydroxy-(4-methylphenyl)methyl]prop-2-enoate
CID 15507734
ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
CID 11447702
2-[hydroxy-(4-methoxycarbonylphenyl)methyl]prop-2-enoic acid
CID 59245023
ethane;methyl 2-[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]prop-2-enoate
CID 155716297
methyl 2-[bromo(phenyl)methyl]prop-2-enoate
CID 15812396
methyl 2-(dimethylamino)-2-pyridin-4-ylacetate
CID 116857149

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate (CID 42547621) is methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate is C=C(C(=O)OC)[C@@H](O)c1ccncc1.
What is the InChIKey of methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate?
The InChIKey is IELXRUKORPMBPJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(10(13)14-2)9(12)8-3-5-11-6-4-8/h3-6,9,12H,1H2,2H3/t9-/m1/s1.
What are the key properties of methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate?
methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate has a molecular weight of 193.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate is sourced from PubChem (CID 42547621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).