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

C11H10N4O4 — CID 104898540

IUPAC(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid
SMILESNc1nonc1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H10N4O4/c12-9-8(14-19-15-9)10(16)13-7(11(17)18)6-4-2-1-3-5-6/h1-5,7H,(H2,12,15)(H,13,16)(H,17,18)/t7-/m0/s1
InChIKeyNFGQSLFEMNCLSR-ZETCQYMHSA-N
MW262.23 g/mol
LogP0.21
Rot. Bonds4

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

(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid (PubChem CID 104898540) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid
PubChem CID104898540
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid
SMILESNc1nonc1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H10N4O4/c12-9-8(14-19-15-9)10(16)13-7(11(17)18)6-4-2-1-3-5-6/h1-5,7H,(H2,12,15)(H,13,16)(H,17,18)/t7-/m0/s1
InChIKeyNFGQSLFEMNCLSR-ZETCQYMHSA-N
XLogP0.21
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(1R)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606094
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114917606
(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
CID 78991718
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81365969
4-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81364858
4-amino-N-(2-benzamidoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 4316930
4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81383381
(2S)-2-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)acetic acid
CID 97310654
4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide
CID 55091034
4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 65314664
4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid (CID 104898540) is (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid is Nc1nonc1C(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is NFGQSLFEMNCLSR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10N4O4/c12-9-8(14-19-15-9)10(16)13-7(11(17)18)6-4-2-1-3-5-6/h1-5,7H,(H2,12,15)(H,13,16)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 262.23 g/mol, XLogP of 0.21, 4 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]-2-phenylacetic acid is sourced from PubChem (CID 104898540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).