2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid

C9H13N5O5S — CID 60846069

IUPAC2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1cnnn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H13N5O5S/c15-8(3-13-6-10-11-12-13)14(4-9(16)17)7-1-2-20(18,19)5-7/h6-7H,1-5H2,(H,16,17)
InChIKeyQTDWGIMPZWCFSW-UHFFFAOYSA-N
MW303.30 g/mol
LogP-2.23
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid

2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid (PubChem CID 60846069) has the molecular formula C9H13N5O5S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
PubChem CID60846069
Molecular FormulaC9H13N5O5S
Molecular Weight303.30 g/mol
Exact Mass303.06
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1cnnn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H13N5O5S/c15-8(3-13-6-10-11-12-13)14(4-9(16)17)7-1-2-20(18,19)5-7/h6-7H,1-5H2,(H,16,17)
InChIKeyQTDWGIMPZWCFSW-UHFFFAOYSA-N
XLogP-2.23
TPSA135.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid with MolForge

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Related Compounds

3-[2-(Tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 24710137
4-Methylsulfonyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 24710867
(4R)-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 28214219
2-Propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 55235139
2-[(1,1-Dioxothiolan-3-yl)-[(1-propyltetrazol-5-yl)methyl]amino]acetic acid
CID 60840243
2-[(1,1-Dioxothiolan-3-yl)-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid
CID 60845211
2-[(1,1-Dioxothiolan-3-yl)-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
CID 60845561
2-[(1,1-Dioxothiolan-3-yl)-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
CID 60845736
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide
CID 61105623
2-[(1,1-Dioxothiolan-3-yl)-(1-methyltetrazol-5-yl)amino]acetic acid
CID 63152209
2-Propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 63791016
2-Ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 63791684

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid (CID 60846069) is 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)Cn1cnnn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
The InChIKey is QTDWGIMPZWCFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O5S/c15-8(3-13-6-10-11-12-13)14(4-9(16)17)7-1-2-20(18,19)5-7/h6-7H,1-5H2,(H,16,17).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid has a molecular weight of 303.30 g/mol, XLogP of -2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 60846069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).