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

C12H17N5O3S — CID 43655786

IUPAC2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C12H17N5O3S/c18-10(16(6-11(19)20)5-8-1-2-8)7-21-12-13-14-15-17(12)9-3-4-9/h8-9H,1-7H2,(H,19,20)
InChIKeyZTZPVVPNWQNLNZ-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.42
Rot. Bonds8

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

2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid (PubChem CID 43655786) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
PubChem CID43655786
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C12H17N5O3S/c18-10(16(6-11(19)20)5-8-1-2-8)7-21-12-13-14-15-17(12)9-3-4-9/h8-9H,1-7H2,(H,19,20)
InChIKeyZTZPVVPNWQNLNZ-UHFFFAOYSA-N
XLogP0.42
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
Methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate
CID 43408862
N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
CID 43577092
2-[Cyclopropylmethyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetic acid
CID 43655547
2-[Cyclopropylmethyl-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetic acid
CID 43655782
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]-ethylamino]acetic acid
CID 54900172
Methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-propan-2-ylamino]acetate
CID 60779473
2-[Cyclopropyl-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetic acid
CID 60826391
2-[Cyclopropyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
CID 60826392
2-[Butan-2-yl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
CID 60829394

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid (CID 43655786) is 2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
The InChIKey is ZTZPVVPNWQNLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c18-10(16(6-11(19)20)5-8-1-2-8)7-21-12-13-14-15-17(12)9-3-4-9/h8-9H,1-7H2,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid has a molecular weight of 311.37 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid is sourced from PubChem (CID 43655786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).