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

C11H15N5O3S — CID 61137110

IUPAC(2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=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)/t8-/m0/s1
InChIKeyRZNWZCVJUUNKKY-QMMMGPOBSA-N
MW297.34 g/mol
LogP0.18
Rot. Bonds5

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

(2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid (PubChem CID 61137110) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is (2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
PubChem CID61137110
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name(2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=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)/t8-/m0/s1
InChIKeyRZNWZCVJUUNKKY-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid (CID 61137110) is (2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CSc1nnnn1C1CC1.
What is the InChIKey of (2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RZNWZCVJUUNKKY-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of (2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid?
(2S)-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 (2S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61137110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).