(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid

C6H8N4O4 — CID 78991718

IUPAC(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C6H8N4O4/c1-2(6(12)13)8-5(11)3-4(7)10-14-9-3/h2H,1H3,(H2,7,10)(H,8,11)(H,12,13)/t2-/m0/s1
InChIKeyIUTKSVFBYPFPDT-REOHCLBHSA-N
MW200.15 g/mol
LogP-1.15
Rot. Bonds3

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

(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid (PubChem CID 78991718) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
PubChem CID78991718
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C6H8N4O4/c1-2(6(12)13)8-5(11)3-4(7)10-14-9-3/h2H,1H3,(H2,7,10)(H,8,11)(H,12,13)/t2-/m0/s1
InChIKeyIUTKSVFBYPFPDT-REOHCLBHSA-N
XLogP-1.15
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 94548469
(2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
CID 130637404
2-[[3,6-diamino-5-(1-carboxyethylcarbamoyl)pyrazine-2-carbonyl]amino]propanoic acid
CID 175866216
4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 65314664
methyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-3-methylbutanoate
CID 55103863
4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 64642806
(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid
CID 104898540
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81383381
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114917606
4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606092
4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106134755

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid (CID 78991718) is (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid is C[C@H](NC(=O)c1nonc1N)C(=O)O.
What is the InChIKey of (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
The InChIKey is IUTKSVFBYPFPDT-REOHCLBHSA-N. The full InChI is InChI=1S/C6H8N4O4/c1-2(6(12)13)8-5(11)3-4(7)10-14-9-3/h2H,1H3,(H2,7,10)(H,8,11)(H,12,13)/t2-/m0/s1.
What are the key properties of (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid has a molecular weight of 200.15 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 78991718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).