1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid

C11H15N5O3S — CID 43355615

IUPAC1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C11H15N5O3S/c17-9(15-5-1-2-8(15)10(18)19)6-20-11-12-13-14-16(11)7-3-4-7/h7-8H,1-6H2,(H,18,19)
InChIKeyRZNWZCVJUUNKKY-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.18
Rot. Bonds5

About 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid

1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid (PubChem CID 43355615) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
PubChem CID43355615
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C11H15N5O3S/c17-9(15-5-1-2-8(15)10(18)19)6-20-11-12-13-14-16(11)7-3-4-7/h7-8H,1-6H2,(H,18,19)
InChIKeyRZNWZCVJUUNKKY-UHFFFAOYSA-N
XLogP0.18
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(4-Propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid
CID 43170957
1-[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43171359
3-[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172201
1-[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-2-carboxylic acid
CID 43242215
1-[2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid
CID 43355616
Methyl 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43422847
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid
CID 43631018
(2S)-1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid
CID 61136696
(2S)-1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid
CID 61136980
(2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 61137110
(4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143306
(2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151820

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid (CID 43355615) is 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RZNWZCVJUUNKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c17-9(15-5-1-2-8(15)10(18)19)6-20-11-12-13-14-16(11)7-3-4-7/h7-8H,1-6H2,(H,18,19).
What are the key properties of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid?
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).