2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid

C7H9N5O5 — CID 55103619

IUPAC2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESNc1nonc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C7H9N5O5/c8-6-5(11-17-12-6)7(16)10-1-3(13)9-2-4(14)15/h1-2H2,(H2,8,12)(H,9,13)(H,10,16)(H,14,15)
InChIKeyQOTQEHPSMMIEBV-UHFFFAOYSA-N
MW243.18 g/mol
LogP-2.42
Rot. Bonds5

About 2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 55103619) has the molecular formula C7H9N5O5 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID55103619
Molecular FormulaC7H9N5O5
Molecular Weight243.18 g/mol
Exact Mass243.06
IUPAC Name2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESNc1nonc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C7H9N5O5/c8-6-5(11-17-12-6)7(16)10-1-3(13)9-2-4(14)15/h1-2H2,(H2,8,12)(H,9,13)(H,10,16)(H,14,15)
InChIKeyQOTQEHPSMMIEBV-UHFFFAOYSA-N
XLogP-2.42
TPSA160.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid (CID 55103619) is 2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid is Nc1nonc1C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is QOTQEHPSMMIEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O5/c8-6-5(11-17-12-6)7(16)10-1-3(13)9-2-4(14)15/h1-2H2,(H2,8,12)(H,9,13)(H,10,16)(H,14,15).
What are the key properties of 2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 243.18 g/mol, XLogP of -2.42, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 55103619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).