tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C12H23NO5 — CID 13304921

IUPACtert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NC(CO)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO5/c1-11(2,3)17-9(15)8(7-14)13-10(16)18-12(4,5)6/h8,14H,7H2,1-6H3,(H,13,16)
InChIKeyNSNZHQVMWJPBPI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.21
Rot. Bonds3

About tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 13304921) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID13304921
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nametert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NC(CO)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO5/c1-11(2,3)17-9(15)8(7-14)13-10(16)18-12(4,5)6/h8,14H,7H2,1-6H3,(H,13,16)
InChIKeyNSNZHQVMWJPBPI-UHFFFAOYSA-N
XLogP1.21
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 13304921) is tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC(=O)NC(CO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is NSNZHQVMWJPBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-11(2,3)17-9(15)8(7-14)13-10(16)18-12(4,5)6/h8,14H,7H2,1-6H3,(H,13,16).
What are the key properties of tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 261.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 13304921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).