5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate

C8H10N2O4S — CID 70426557

IUPAC5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate
SMILESNOC(=O)CCCC(=O)Oc1nccs1
InChIInChI=1S/C8H10N2O4S/c9-14-7(12)3-1-2-6(11)13-8-10-4-5-15-8/h4-5H,1-3,9H2
InChIKeyLVCCRHFQTJVDOE-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.64
Rot. Bonds5

About 5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate

5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate (PubChem CID 70426557) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate.

Molecular Properties

Compound Name5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate
PubChem CID70426557
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate
SMILESNOC(=O)CCCC(=O)Oc1nccs1
InChIInChI=1S/C8H10N2O4S/c9-14-7(12)3-1-2-6(11)13-8-10-4-5-15-8/h4-5H,1-3,9H2
InChIKeyLVCCRHFQTJVDOE-UHFFFAOYSA-N
XLogP0.64
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-O-ethyl 3-O-(1,3-thiazol-2-yl) propanedioate
CID 174640375
1,3-thiazol-2-yl N-ethyl-N-methylcarbamate
CID 174620445
2-butoxy-1,3-thiazole;propane
CID 143891119
1,3-thiazol-2-yl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175542389
(3,4-diaminothiophen-2-yl) pentanoate
CID 67634075
2-(1,3-thiazol-2-yloxyimino)acetyl chloride
CID 54411805
sodium;diamino heptanedioate;hydride
CID 174435177
octanedioic acid;bis(1,3-thiazol-2-amine)
CID 139147698
ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
CID 12785117
2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole
CID 139682098
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
oxo-bis(1,3-thiazol-2-yloxy)phosphanium
CID 67372593

Frequently Asked Questions

What is the IUPAC name of 5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate?
The IUPAC name of 5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate (CID 70426557) is 5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate.
What is the SMILES notation for 5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate?
The canonical SMILES for 5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate is NOC(=O)CCCC(=O)Oc1nccs1.
What is the InChIKey of 5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate?
The InChIKey is LVCCRHFQTJVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c9-14-7(12)3-1-2-6(11)13-8-10-4-5-15-8/h4-5H,1-3,9H2.
What are the key properties of 5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate?
5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate has a molecular weight of 230.24 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate is sourced from PubChem (CID 70426557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).