2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid

C8H11N5O3S — CID 43242214

IUPAC2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C8H11N5O3S/c14-6(9-3-7(15)16)4-17-8-10-11-12-13(8)5-1-2-5/h5H,1-4H2,(H,9,14)(H,15,16)
InChIKeyCLRRCQFLCHZINT-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.70
Rot. Bonds6

About 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid

2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid (PubChem CID 43242214) has the molecular formula C8H11N5O3S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
PubChem CID43242214
Molecular FormulaC8H11N5O3S
Molecular Weight257.27 g/mol
Exact Mass257.06
IUPAC Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C8H11N5O3S/c14-6(9-3-7(15)16)4-17-8-10-11-12-13(8)5-1-2-5/h5H,1-4H2,(H,9,14)(H,15,16)
InChIKeyCLRRCQFLCHZINT-UHFFFAOYSA-N
XLogP-0.70
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid (CID 43242214) is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid is O=C(O)CNC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
The InChIKey is CLRRCQFLCHZINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3S/c14-6(9-3-7(15)16)4-17-8-10-11-12-13(8)5-1-2-5/h5H,1-4H2,(H,9,14)(H,15,16).
What are the key properties of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid has a molecular weight of 257.27 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid is sourced from PubChem (CID 43242214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).