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

C10H17N3O6 — CID 143718663

IUPAC2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESCc1noc(CCC(O)C(O)C(N)(CO)C(=O)O)n1
InChIInChI=1S/C10H17N3O6/c1-5-12-7(19-13-5)3-2-6(15)8(16)10(11,4-14)9(17)18/h6,8,14-16H,2-4,11H2,1H3,(H,17,18)
InChIKeyRVQNXHOZKMNEHP-UHFFFAOYSA-N
MW275.26 g/mol
LogP-2.19
Rot. Bonds7

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

2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid (PubChem CID 143718663) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid.

Molecular Properties

Compound Name2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid
PubChem CID143718663
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESCc1noc(CCC(O)C(O)C(N)(CO)C(=O)O)n1
InChIInChI=1S/C10H17N3O6/c1-5-12-7(19-13-5)3-2-6(15)8(16)10(11,4-14)9(17)18/h6,8,14-16H,2-4,11H2,1H3,(H,17,18)
InChIKeyRVQNXHOZKMNEHP-UHFFFAOYSA-N
XLogP-2.19
TPSA162.93 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-2.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid with MolForge

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Related Compounds

2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
CID 43471079
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate
CID 106419650
1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 58326632
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 106413314
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
(2S)-4-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106420662
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726364
3,3,3-trifluoro-2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 79795813
3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole
CID 130670162
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The IUPAC name of 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid (CID 143718663) is 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid.
What is the SMILES notation for 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The canonical SMILES for 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid is Cc1noc(CCC(O)C(O)C(N)(CO)C(=O)O)n1.
What is the InChIKey of 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The InChIKey is RVQNXHOZKMNEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O6/c1-5-12-7(19-13-5)3-2-6(15)8(16)10(11,4-14)9(17)18/h6,8,14-16H,2-4,11H2,1H3,(H,17,18).
What are the key properties of 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid?
2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid has a molecular weight of 275.26 g/mol, XLogP of -2.19, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid is sourced from PubChem (CID 143718663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).