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

C10H15N5O3S — CID 43469396

IUPAC2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
SMILESCCC(NC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C10H15N5O3S/c1-2-7(9(17)18)11-8(16)5-19-10-12-13-14-15(10)6-3-4-6/h6-7H,2-5H2,1H3,(H,11,16)(H,17,18)
InChIKeyHRFOITVPNLQCNZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.08
Rot. Bonds7

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

2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid (PubChem CID 43469396) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
PubChem CID43469396
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
SMILESCCC(NC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C10H15N5O3S/c1-2-7(9(17)18)11-8(16)5-19-10-12-13-14-15(10)6-3-4-6/h6-7H,2-5H2,1H3,(H,11,16)(H,17,18)
InChIKeyHRFOITVPNLQCNZ-UHFFFAOYSA-N
XLogP0.08
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.08
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]butanoic acid?
The IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid (CID 43469396) is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid is CCC(NC(=O)CSc1nnnn1C1CC1)C(=O)O.
What is the InChIKey of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
The InChIKey is HRFOITVPNLQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-2-7(9(17)18)11-8(16)5-19-10-12-13-14-15(10)6-3-4-6/h6-7H,2-5H2,1H3,(H,11,16)(H,17,18).
What are the key properties of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid has a molecular weight of 285.33 g/mol, XLogP of 0.08, 7 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]butanoic acid is sourced from PubChem (CID 43469396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).