4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide

C6H9N5O3 — CID 94548469

IUPAC4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESC[C@H](NC(=O)c1nonc1N)C(N)=O
InChIInChI=1S/C6H9N5O3/c1-2(5(8)12)9-6(13)3-4(7)11-14-10-3/h2H,1H3,(H2,7,11)(H2,8,12)(H,9,13)/t2-/m0/s1
InChIKeyMNOOOWGBSFFXLR-REOHCLBHSA-N
MW199.17 g/mol
LogP-1.74
Rot. Bonds3

About 4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 94548469) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID94548469
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESC[C@H](NC(=O)c1nonc1N)C(N)=O
InChIInChI=1S/C6H9N5O3/c1-2(5(8)12)9-6(13)3-4(7)11-14-10-3/h2H,1H3,(H2,7,11)(H2,8,12)(H,9,13)/t2-/m0/s1
InChIKeyMNOOOWGBSFFXLR-REOHCLBHSA-N
XLogP-1.74
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
CID 78991718
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
4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 65314664
4-amino-N-(dicyclopropylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687641
4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687239
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
4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106134755
4-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81364858
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81365969
(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid
CID 104898540

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide (CID 94548469) is 4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide is C[C@H](NC(=O)c1nonc1N)C(N)=O.
What is the InChIKey of 4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MNOOOWGBSFFXLR-REOHCLBHSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-2(5(8)12)9-6(13)3-4(7)11-14-10-3/h2H,1H3,(H2,7,11)(H2,8,12)(H,9,13)/t2-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 199.17 g/mol, XLogP of -1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 94548469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).