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

C9H13N5O3S — CID 43244973

IUPAC2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
SMILESCC(NC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C9H13N5O3S/c1-5(8(16)17)10-7(15)4-18-9-11-12-13-14(9)6-2-3-6/h5-6H,2-4H2,1H3,(H,10,15)(H,16,17)
InChIKeyDAHZZHYIUCMYIO-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.31
Rot. Bonds6

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

2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid (PubChem CID 43244973) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
PubChem CID43244973
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
SMILESCC(NC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C9H13N5O3S/c1-5(8(16)17)10-7(15)4-18-9-11-12-13-14(9)6-2-3-6/h5-6H,2-4H2,1H3,(H,10,15)(H,16,17)
InChIKeyDAHZZHYIUCMYIO-UHFFFAOYSA-N
XLogP-0.31
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.31
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]propanoic acid?
The IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid (CID 43244973) is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid is CC(NC(=O)CSc1nnnn1C1CC1)C(=O)O.
What is the InChIKey of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid?
The InChIKey is DAHZZHYIUCMYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-5(8(16)17)10-7(15)4-18-9-11-12-13-14(9)6-2-3-6/h5-6H,2-4H2,1H3,(H,10,15)(H,16,17).
What are the key properties of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid?
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid has a molecular weight of 271.30 g/mol, XLogP of -0.31, 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]propanoic acid is sourced from PubChem (CID 43244973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).