methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate

C7H10N4O5 — CID 107222810

IUPACmethyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1nonc1N
InChIInChI=1S/C7H10N4O5/c1-15-7(14)3(12)2-9-6(13)4-5(8)11-16-10-4/h3,12H,2H2,1H3,(H2,8,11)(H,9,13)
InChIKeyHXXBABAEKPYSQJ-UHFFFAOYSA-N
MW230.18 g/mol
LogP-2.08
Rot. Bonds4

About methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate

methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate (PubChem CID 107222810) has the molecular formula C7H10N4O5 and a molecular weight of 230.18 g/mol. Its IUPAC name is methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate
PubChem CID107222810
Molecular FormulaC7H10N4O5
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Namemethyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1nonc1N
InChIInChI=1S/C7H10N4O5/c1-15-7(14)3(12)2-9-6(13)4-5(8)11-16-10-4/h3,12H,2H2,1H3,(H2,8,11)(H,9,13)
InChIKeyHXXBABAEKPYSQJ-UHFFFAOYSA-N
XLogP-2.08
TPSA140.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate (CID 107222810) is methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1nonc1N.
What is the InChIKey of methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate?
The InChIKey is HXXBABAEKPYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O5/c1-15-7(14)3(12)2-9-6(13)4-5(8)11-16-10-4/h3,12H,2H2,1H3,(H2,8,11)(H,9,13).
What are the key properties of methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate?
methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate has a molecular weight of 230.18 g/mol, XLogP of -2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 107222810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).