2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid

C8H11N5O3S — CID 43568509

IUPAC2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1CC(=O)NC1CC1
InChIInChI=1S/C8H11N5O3S/c14-6(9-5-1-2-5)3-13-8(10-11-12-13)17-4-7(15)16/h5H,1-4H2,(H,9,14)(H,15,16)
InChIKeyMEHNJFADDBOJSB-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.87
Rot. Bonds6

About 2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid

2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid (PubChem CID 43568509) has the molecular formula C8H11N5O3S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid
PubChem CID43568509
Molecular FormulaC8H11N5O3S
Molecular Weight257.27 g/mol
Exact Mass257.06
IUPAC Name2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1CC(=O)NC1CC1
InChIInChI=1S/C8H11N5O3S/c14-6(9-5-1-2-5)3-13-8(10-11-12-13)17-4-7(15)16/h5H,1-4H2,(H,9,14)(H,15,16)
InChIKeyMEHNJFADDBOJSB-UHFFFAOYSA-N
XLogP-0.87
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid (CID 43568509) is 2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid is O=C(O)CSc1nnnn1CC(=O)NC1CC1.
What is the InChIKey of 2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is MEHNJFADDBOJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3S/c14-6(9-5-1-2-5)3-13-8(10-11-12-13)17-4-7(15)16/h5H,1-4H2,(H,9,14)(H,15,16).
What are the key properties of 2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid?
2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 257.27 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 43568509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).