methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C10H19NO5 — CID 54573797

IUPACmethyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-7(6-12)5-8(13)15-4/h7,12H,5-6H2,1-4H3,(H,11,14)/t7-/m0/s1
InChIKeyZZDVXWXHEXVLNH-ZETCQYMHSA-N
MW233.26 g/mol
LogP0.44
Rot. Bonds4

About methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 54573797) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID54573797
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Namemethyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-7(6-12)5-8(13)15-4/h7,12H,5-6H2,1-4H3,(H,11,14)/t7-/m0/s1
InChIKeyZZDVXWXHEXVLNH-ZETCQYMHSA-N
XLogP0.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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 (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 54573797) is methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is COC(=O)C[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is ZZDVXWXHEXVLNH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-7(6-12)5-8(13)15-4/h7,12H,5-6H2,1-4H3,(H,11,14)/t7-/m0/s1.
What are the key properties of methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 233.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 54573797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).