2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid

C11H21NO5 — CID 121346626

IUPAC2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid
SMILESCCN(CC(CO)C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-5-12(6-8(7-13)9(14)15)10(16)17-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyLVHJZVMXNIHVGN-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.94
Rot. Bonds5

About 2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid

2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid (PubChem CID 121346626) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid
PubChem CID121346626
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid
SMILESCCN(CC(CO)C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-5-12(6-8(7-13)9(14)15)10(16)17-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyLVHJZVMXNIHVGN-UHFFFAOYSA-N
XLogP0.94
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid (CID 121346626) is 2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid is CCN(CC(CO)C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid?
The InChIKey is LVHJZVMXNIHVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-5-12(6-8(7-13)9(14)15)10(16)17-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid?
2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid has a molecular weight of 247.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 121346626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).