methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate

C17H19NO3 — CID 71662848

IUPACmethyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate
SMILESCC[C@](C(=O)OC)(c1ccccc1)[C@H](O)c1ccccn1
InChIInChI=1S/C17H19NO3/c1-3-17(16(20)21-2,13-9-5-4-6-10-13)15(19)14-11-7-8-12-18-14/h4-12,15,19H,3H2,1-2H3/t15-,17+/m1/s1
InChIKeyJKVRIZCHTDNUJV-WBVHZDCISA-N
MW285.34 g/mol
LogP2.64
Rot. Bonds5

About methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate

methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate (PubChem CID 71662848) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate
PubChem CID71662848
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate
SMILESCC[C@](C(=O)OC)(c1ccccc1)[C@H](O)c1ccccn1
InChIInChI=1S/C17H19NO3/c1-3-17(16(20)21-2,13-9-5-4-6-10-13)15(19)14-11-7-8-12-18-14/h4-12,15,19H,3H2,1-2H3/t15-,17+/m1/s1
InChIKeyJKVRIZCHTDNUJV-WBVHZDCISA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide
CID 57298658
methyl 2,2-dimethyl-4-pyridin-2-ylhexanoate
CID 58862789
methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate
CID 10561798
methyl 2-phenyl-2-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propanoate
CID 67662970
methyl 2-[dimethylamino(pyridin-2-yl)methyl]butanoate
CID 116913613
methyl 2-methyl-2-phenylbutanoate
CID 562613
2-[dimethylamino(pyridin-2-yl)methyl]butanoic acid
CID 116913130
2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
CID 79137493
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate
CID 162399408
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate?
The IUPAC name of methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate (CID 71662848) is methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate.
What is the SMILES notation for methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate?
The canonical SMILES for methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate is CC[C@](C(=O)OC)(c1ccccc1)[C@H](O)c1ccccn1.
What is the InChIKey of methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate?
The InChIKey is JKVRIZCHTDNUJV-WBVHZDCISA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-17(16(20)21-2,13-9-5-4-6-10-13)15(19)14-11-7-8-12-18-14/h4-12,15,19H,3H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate?
methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate has a molecular weight of 285.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate is sourced from PubChem (CID 71662848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).