2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid

C9H13N5O3S — CID 43241521

IUPAC2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C9H13N5O3S/c1-13(4-8(16)17)7(15)5-18-9-10-11-12-14(9)6-2-3-6/h6H,2-5H2,1H3,(H,16,17)
InChIKeyIFXBDQURBWJGSV-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.36
Rot. Bonds6

About 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid

2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid (PubChem CID 43241521) 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]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid
PubChem CID43241521
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C9H13N5O3S/c1-13(4-8(16)17)7(15)5-18-9-10-11-12-14(9)6-2-3-6/h6H,2-5H2,1H3,(H,16,17)
InChIKeyIFXBDQURBWJGSV-UHFFFAOYSA-N
XLogP-0.36
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid (CID 43241521) is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid?
The InChIKey is IFXBDQURBWJGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-13(4-8(16)17)7(15)5-18-9-10-11-12-14(9)6-2-3-6/h6H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid?
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid has a molecular weight of 271.30 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid is sourced from PubChem (CID 43241521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).