methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate

C25H32N2O4 — CID 15233963

IUPACmethyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate
SMILESCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@H](C)N1[C@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C25H32N2O4/c1-18(27-21(17-31-24(27,2)3)20-14-10-7-11-15-20)22(28)26-25(4,23(29)30-5)16-19-12-8-6-9-13-19/h6-15,18,21H,16-17H2,1-5H3,(H,26,28)/t18-,21-,25-/m0/s1
InChIKeyZZTJJTIIGLOMRH-HMHJJOSWSA-N
MW424.54 g/mol
LogP3.48
Rot. Bonds7

About methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate

methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate (PubChem CID 15233963) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate
PubChem CID15233963
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Namemethyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate
SMILESCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@H](C)N1[C@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C25H32N2O4/c1-18(27-21(17-31-24(27,2)3)20-14-10-7-11-15-20)22(28)26-25(4,23(29)30-5)16-19-12-8-6-9-13-19/h6-15,18,21H,16-17H2,1-5H3,(H,26,28)/t18-,21-,25-/m0/s1
InChIKeyZZTJJTIIGLOMRH-HMHJJOSWSA-N
XLogP3.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate (CID 15233963) is methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate is COC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@H](C)N1[C@H](c2ccccc2)COC1(C)C.
What is the InChIKey of methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate?
The InChIKey is ZZTJJTIIGLOMRH-HMHJJOSWSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-18(27-21(17-31-24(27,2)3)20-14-10-7-11-15-20)22(28)26-25(4,23(29)30-5)16-19-12-8-6-9-13-19/h6-15,18,21H,16-17H2,1-5H3,(H,26,28)/t18-,21-,25-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate?
methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate has a molecular weight of 424.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 15233963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).