methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate

C19H23NO3 — CID 15263251

IUPACmethyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate
SMILESCOC(=O)CN[C@@H](c1ccccc1)[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(19(22)16-11-7-4-8-12-16)18(20-13-17(21)23-2)15-9-5-3-6-10-15/h3-12,14,18-20,22H,13H2,1-2H3/t14-,18-,19+/m1/s1
InChIKeyCSSLFWCXIHUNCA-ZMYBRWDISA-N
MW313.40 g/mol
LogP2.86
Rot. Bonds7

About methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate

methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate (PubChem CID 15263251) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate
PubChem CID15263251
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namemethyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate
SMILESCOC(=O)CN[C@@H](c1ccccc1)[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(19(22)16-11-7-4-8-12-16)18(20-13-17(21)23-2)15-9-5-3-6-10-15/h3-12,14,18-20,22H,13H2,1-2H3/t14-,18-,19+/m1/s1
InChIKeyCSSLFWCXIHUNCA-ZMYBRWDISA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate?
The IUPAC name of methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate (CID 15263251) is methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate?
The canonical SMILES for methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate is COC(=O)CN[C@@H](c1ccccc1)[C@@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate?
The InChIKey is CSSLFWCXIHUNCA-ZMYBRWDISA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(19(22)16-11-7-4-8-12-16)18(20-13-17(21)23-2)15-9-5-3-6-10-15/h3-12,14,18-20,22H,13H2,1-2H3/t14-,18-,19+/m1/s1.
What are the key properties of methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate?
methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate has a molecular weight of 313.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate is sourced from PubChem (CID 15263251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).