2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid

C12H20N4O2S — CID 65441929

IUPAC2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
SMILESCCCCn1nnnc1CSCC1(CC(=O)O)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-3-6-16-10(13-14-15-16)8-19-9-12(4-5-12)7-11(17)18/h2-9H2,1H3,(H,17,18)
InChIKeyGOCWRCJPWKFZJY-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.96
Rot. Bonds9

About 2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid

2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65441929) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65441929
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
SMILESCCCCn1nnnc1CSCC1(CC(=O)O)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-3-6-16-10(13-14-15-16)8-19-9-12(4-5-12)7-11(17)18/h2-9H2,1H3,(H,17,18)
InChIKeyGOCWRCJPWKFZJY-UHFFFAOYSA-N
XLogP1.96
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid (CID 65441929) is 2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid is CCCCn1nnnc1CSCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is GOCWRCJPWKFZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-3-6-16-10(13-14-15-16)8-19-9-12(4-5-12)7-11(17)18/h2-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 284.38 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65441929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).