2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid

C9H13N5O2S — CID 107141058

IUPAC2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Sc2nnnn2C2CC2)CNC1
InChIInChI=1S/C9H13N5O2S/c15-7(16)3-9(4-10-5-9)17-8-11-12-13-14(8)6-1-2-6/h6,10H,1-5H2,(H,15,16)
InChIKeyBXXACPDUASESFK-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.08
Rot. Bonds5

About 2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid

2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid (PubChem CID 107141058) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid
PubChem CID107141058
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Sc2nnnn2C2CC2)CNC1
InChIInChI=1S/C9H13N5O2S/c15-7(16)3-9(4-10-5-9)17-8-11-12-13-14(8)6-1-2-6/h6,10H,1-5H2,(H,15,16)
InChIKeyBXXACPDUASESFK-UHFFFAOYSA-N
XLogP-0.08
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(1-phenyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid
CID 107141025
2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid
CID 43610496
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-difluoroacetic acid
CID 81217649
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79630021
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362685
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 115636705
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62300458
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
CID 43231239
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-phenylpropanoic acid
CID 63098233
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-ethylamino]acetic acid
CID 54900172
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693488

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid (CID 107141058) is 2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid is O=C(O)CC1(Sc2nnnn2C2CC2)CNC1.
What is the InChIKey of 2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid?
The InChIKey is BXXACPDUASESFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c15-7(16)3-9(4-10-5-9)17-8-11-12-13-14(8)6-1-2-6/h6,10H,1-5H2,(H,15,16).
What are the key properties of 2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid?
2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid has a molecular weight of 255.30 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid is sourced from PubChem (CID 107141058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).