2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane

C11H23NO5 — CID 142205348

IUPAC2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane
SMILESCC(C)(C)OC(=O)NCC(O)C(=O)O.CCC
InChIInChI=1S/C8H15NO5.C3H8/c1-8(2,3)14-7(13)9-4-5(10)6(11)12;1-3-2/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12);3H2,1-2H3
InChIKeyFNXZXRBEORKUFA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.37
Rot. Bonds3

About 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane

2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane (PubChem CID 142205348) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane
PubChem CID142205348
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane
SMILESCC(C)(C)OC(=O)NCC(O)C(=O)O.CCC
InChIInChI=1S/C8H15NO5.C3H8/c1-8(2,3)14-7(13)9-4-5(10)6(11)12;1-3-2/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12);3H2,1-2H3
InChIKeyFNXZXRBEORKUFA-UHFFFAOYSA-N
XLogP1.37
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane?
The IUPAC name of 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane (CID 142205348) is 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane.
What is the SMILES notation for 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane?
The canonical SMILES for 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane is CC(C)(C)OC(=O)NCC(O)C(=O)O.CCC.
What is the InChIKey of 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane?
The InChIKey is FNXZXRBEORKUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5.C3H8/c1-8(2,3)14-7(13)9-4-5(10)6(11)12;1-3-2/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12);3H2,1-2H3.
What are the key properties of 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane?
2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane has a molecular weight of 249.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;propane is sourced from PubChem (CID 142205348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).