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

C8H15NO5 — CID 12959850

IUPAC2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-4-5(10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyJJCAYTVAYSGVLA-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.04
Rot. Bonds3

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

2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 12959850) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID12959850
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-4-5(10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyJJCAYTVAYSGVLA-UHFFFAOYSA-N
XLogP-0.04
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.04
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?
The IUPAC name of 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 12959850) is 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is JJCAYTVAYSGVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-4-5(10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12).
What are the key properties of 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 205.21 g/mol, XLogP of -0.04, 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 is sourced from PubChem (CID 12959850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).