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

C10H15N5O4S — CID 43353709

IUPAC2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C10H15N5O4S/c1-5(16)8(9(18)19)11-7(17)4-20-10-12-13-14-15(10)6-2-3-6/h5-6,8,16H,2-4H2,1H3,(H,11,17)(H,18,19)
InChIKeyDGPRTBWAZJUQCD-UHFFFAOYSA-N
MW301.33 g/mol
LogP-0.95
Rot. Bonds7

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

2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid (PubChem CID 43353709) has the molecular formula C10H15N5O4S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid
PubChem CID43353709
Molecular FormulaC10H15N5O4S
Molecular Weight301.33 g/mol
Exact Mass301.08
IUPAC Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C10H15N5O4S/c1-5(16)8(9(18)19)11-7(17)4-20-10-12-13-14-15(10)6-2-3-6/h5-6,8,16H,2-4H2,1H3,(H,11,17)(H,18,19)
InChIKeyDGPRTBWAZJUQCD-UHFFFAOYSA-N
XLogP-0.95
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid (CID 43353709) is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)CSc1nnnn1C1CC1)C(=O)O.
What is the InChIKey of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid?
The InChIKey is DGPRTBWAZJUQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4S/c1-5(16)8(9(18)19)11-7(17)4-20-10-12-13-14-15(10)6-2-3-6/h5-6,8,16H,2-4H2,1H3,(H,11,17)(H,18,19).
What are the key properties of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid?
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid has a molecular weight of 301.33 g/mol, XLogP of -0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43353709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).