acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid

C13H24N6O7 — CID 142578351

IUPACacetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid
SMILESCC(N)=O.COC(C)C(NC(=O)NCc1nc(C(N)CO)no1)C(=O)O
InChIInChI=1S/C11H19N5O6.C2H5NO/c1-5(21-2)8(10(18)19)15-11(20)13-3-7-14-9(16-22-7)6(12)4-17;1-2(3)4/h5-6,8,17H,3-4,12H2,1-2H3,(H,18,19)(H2,13,15,20);1H3,(H2,3,4)
InChIKeyNFTFUHAQFQOZFZ-UHFFFAOYSA-N
MW376.37 g/mol
LogP-2.16
Rot. Bonds8

About acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid

acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid (PubChem CID 142578351) has the molecular formula C13H24N6O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Nameacetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid
PubChem CID142578351
Molecular FormulaC13H24N6O7
Molecular Weight376.37 g/mol
Exact Mass376.17
IUPAC Nameacetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid
SMILESCC(N)=O.COC(C)C(NC(=O)NCc1nc(C(N)CO)no1)C(=O)O
InChIInChI=1S/C11H19N5O6.C2H5NO/c1-5(21-2)8(10(18)19)15-11(20)13-3-7-14-9(16-22-7)6(12)4-17;1-2(3)4/h5-6,8,17H,3-4,12H2,1-2H3,(H,18,19)(H2,13,15,20);1H3,(H2,3,4)
InChIKeyNFTFUHAQFQOZFZ-UHFFFAOYSA-N
XLogP-2.16
TPSA215.92 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.37
LogP ≤ 5-2.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid?
The IUPAC name of acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid (CID 142578351) is acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid.
What is the SMILES notation for acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid?
The canonical SMILES for acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid is CC(N)=O.COC(C)C(NC(=O)NCc1nc(C(N)CO)no1)C(=O)O.
What is the InChIKey of acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid?
The InChIKey is NFTFUHAQFQOZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O6.C2H5NO/c1-5(21-2)8(10(18)19)15-11(20)13-3-7-14-9(16-22-7)6(12)4-17;1-2(3)4/h5-6,8,17H,3-4,12H2,1-2H3,(H,18,19)(H2,13,15,20);1H3,(H2,3,4).
What are the key properties of acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid?
acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid has a molecular weight of 376.37 g/mol, XLogP of -2.16, 8 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid is sourced from PubChem (CID 142578351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).