3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid

C10H15N5O3S — CID 43360896

IUPAC3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H15N5O3S/c1-6(4-9(17)18)11-8(16)5-19-10-12-13-14-15(10)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,16)(H,17,18)
InChIKeyLIAXVGGUDFIXLN-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.08
Rot. Bonds7

About 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid

3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid (PubChem CID 43360896) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
PubChem CID43360896
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H15N5O3S/c1-6(4-9(17)18)11-8(16)5-19-10-12-13-14-15(10)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,16)(H,17,18)
InChIKeyLIAXVGGUDFIXLN-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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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
CID 17425758
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylacetamide
CID 17511592
N-cyclopropyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 16383307
N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 17394500
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylpropanamide
CID 17511658
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylacetamide
CID 17530341
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide
CID 24231389
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpropanamide
CID 24236253
(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide
CID 25481367
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide
CID 25481373
(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpropanamide
CID 25508403
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpropanamide
CID 25508406

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid (CID 43360896) is 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
The InChIKey is LIAXVGGUDFIXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-6(4-9(17)18)11-8(16)5-19-10-12-13-14-15(10)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,16)(H,17,18).
What are the key properties of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
3-[[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 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid is sourced from PubChem (CID 43360896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).