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

C7H9N3O4 — CID 130637404

IUPAC(2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
SMILESCc1nonc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C7H9N3O4/c1-3-5(10-14-9-3)6(11)8-4(2)7(12)13/h4H,1-2H3,(H,8,11)(H,12,13)/t4-/m0/s1
InChIKeyXEOYRRKRBVXVKA-BYPYZUCNSA-N
MW199.17 g/mol
LogP-0.42
Rot. Bonds3

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

(2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid (PubChem CID 130637404) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
PubChem CID130637404
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name(2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
SMILESCc1nonc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C7H9N3O4/c1-3-5(10-14-9-3)6(11)8-4(2)7(12)13/h4H,1-2H3,(H,8,11)(H,12,13)/t4-/m0/s1
InChIKeyXEOYRRKRBVXVKA-BYPYZUCNSA-N
XLogP-0.42
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
CID 78991718
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
2-[[3,6-diamino-5-(1-carboxyethylcarbamoyl)pyrazine-2-carbonyl]amino]propanoic acid
CID 175866216
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 94548469
(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81361666
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 109380773
4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide
CID 130992052
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110692041
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 166988395

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid (CID 130637404) is (2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid is Cc1nonc1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
The InChIKey is XEOYRRKRBVXVKA-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-3-5(10-14-9-3)6(11)8-4(2)7(12)13/h4H,1-2H3,(H,8,11)(H,12,13)/t4-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
(2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 130637404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).