4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid

C10H15N5O3S — CID 43242213

IUPAC4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H15N5O3S/c16-8(11-5-1-2-9(17)18)6-19-10-12-13-14-15(10)7-3-4-7/h7H,1-6H2,(H,11,16)(H,17,18)
InChIKeyLPBJMQZIECUPKF-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.08
Rot. Bonds8

About 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid

4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid (PubChem CID 43242213) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
PubChem CID43242213
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H15N5O3S/c16-8(11-5-1-2-9(17)18)6-19-10-12-13-14-15(10)7-3-4-7/h7H,1-6H2,(H,11,16)(H,17,18)
InChIKeyLPBJMQZIECUPKF-UHFFFAOYSA-N
XLogP0.08
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid (CID 43242213) is 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid is O=C(O)CCCNC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
The InChIKey is LPBJMQZIECUPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c16-8(11-5-1-2-9(17)18)6-19-10-12-13-14-15(10)7-3-4-7/h7H,1-6H2,(H,11,16)(H,17,18).
What are the key properties of 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid?
4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid has a molecular weight of 285.33 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid is sourced from PubChem (CID 43242213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).