2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid

C11H15N5O3S — CID 60826392

IUPAC2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CSc1nnnn1C1CC1)C1CC1
InChIInChI=1S/C11H15N5O3S/c17-9(15(5-10(18)19)7-1-2-7)6-20-11-12-13-14-16(11)8-3-4-8/h7-8H,1-6H2,(H,18,19)
InChIKeyCLMVNZORRLVJHD-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.18
Rot. Bonds7

About 2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid

2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid (PubChem CID 60826392) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
PubChem CID60826392
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CSc1nnnn1C1CC1)C1CC1
InChIInChI=1S/C11H15N5O3S/c17-9(15(5-10(18)19)7-1-2-7)6-20-11-12-13-14-16(11)8-3-4-8/h7-8H,1-6H2,(H,18,19)
InChIKeyCLMVNZORRLVJHD-UHFFFAOYSA-N
XLogP0.18
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
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

2-[[2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetic acid
CID 43132287
3-[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172201
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid
CID 43241521
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
CID 43242214
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
CID 43244973
Methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate
CID 43408862
2-[[2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43465362
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
CID 43469396
2-[1-[2-(Cyclopropylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylacetic acid
CID 43568509
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572935
N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
CID 43577092
2-[Cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
CID 43655786

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid (CID 60826392) is 2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid is O=C(O)CN(C(=O)CSc1nnnn1C1CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
The InChIKey is CLMVNZORRLVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c17-9(15(5-10(18)19)7-1-2-7)6-20-11-12-13-14-16(11)8-3-4-8/h7-8H,1-6H2,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid has a molecular weight of 297.34 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid is sourced from PubChem (CID 60826392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).