(2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid

C9H15N3O4 — CID 15551270

IUPAC(2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid
SMILESCc1nc(=O)on1CCCC[C@H](N)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-6-11-9(15)16-12(6)5-3-2-4-7(10)8(13)14/h7H,2-5,10H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyXNWREKUXPKAJJU-ZETCQYMHSA-N
MW229.24 g/mol
LogP-0.27
Rot. Bonds6

About (2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid

(2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid (PubChem CID 15551270) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is (2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid
PubChem CID15551270
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name(2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid
SMILESCc1nc(=O)on1CCCC[C@H](N)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-6-11-9(15)16-12(6)5-3-2-4-7(10)8(13)14/h7H,2-5,10H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyXNWREKUXPKAJJU-ZETCQYMHSA-N
XLogP-0.27
TPSA111.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 6994849
(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
2,6-diaminoheptanedioic acid
CID 865
(2S,5S)-2,5-diaminohexanedioic acid
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acetic acid;bis(2,6-diaminohexanoic acid);hydrochloride
CID 174780246
2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
CID 25205018
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
2-amino-21-methyldocosanoic acid
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2-aminotetracosanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid (CID 15551270) is (2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid is Cc1nc(=O)on1CCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid?
The InChIKey is XNWREKUXPKAJJU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-6-11-9(15)16-12(6)5-3-2-4-7(10)8(13)14/h7H,2-5,10H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid?
(2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid has a molecular weight of 229.24 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid is sourced from PubChem (CID 15551270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).