methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C10H19NO5 — CID 10513799

IUPACmethyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@](C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-10(4,6-12)7(13)15-5/h12H,6H2,1-5H3,(H,11,14)/t10-/m0/s1
InChIKeyOUUNEDPIBZNRMT-JTQLQIEISA-N
MW233.26 g/mol
LogP0.44
Rot. Bonds3

About methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 10513799) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID10513799
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Namemethyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@](C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-10(4,6-12)7(13)15-5/h12H,6H2,1-5H3,(H,11,14)/t10-/m0/s1
InChIKeyOUUNEDPIBZNRMT-JTQLQIEISA-N
XLogP0.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 10513799) is methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)[C@](C)(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is OUUNEDPIBZNRMT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-10(4,6-12)7(13)15-5/h12H,6H2,1-5H3,(H,11,14)/t10-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 233.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 10513799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).