3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid

C10H11N5O3S — CID 43354761

IUPAC3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C10H11N5O3S/c16-8(11-4-3-9(17)18)6-15-13-10(12-14-15)7-2-1-5-19-7/h1-2,5H,3-4,6H2,(H,11,16)(H,17,18)
InChIKeyUHMOPSKAINTLQM-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.01
Rot. Bonds6

About 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid

3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid (PubChem CID 43354761) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
PubChem CID43354761
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C10H11N5O3S/c16-8(11-4-3-9(17)18)6-15-13-10(12-14-15)7-2-1-5-19-7/h1-2,5H,3-4,6H2,(H,11,16)(H,17,18)
InChIKeyUHMOPSKAINTLQM-UHFFFAOYSA-N
XLogP-0.01
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107843843
N-(5-hydroxypentyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107318928
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
1-[[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449963
N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 66175567
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 26245507
3-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 64670550
4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43172401
N-(1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 61393718
N-(1-hydroxybutan-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 43393225
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid (CID 43354761) is 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid?
The InChIKey is UHMOPSKAINTLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c16-8(11-4-3-9(17)18)6-15-13-10(12-14-15)7-2-1-5-19-7/h1-2,5H,3-4,6H2,(H,11,16)(H,17,18).
What are the key properties of 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid?
3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid has a molecular weight of 281.30 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43354761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).