3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid

C9H13N5O3S — CID 43354817

IUPAC3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C9H13N5O3S/c15-7(10-4-3-8(16)17)5-18-9-11-12-13-14(9)6-1-2-6/h6H,1-5H2,(H,10,15)(H,16,17)
InChIKeyWDYSFSOXUHAKFB-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.31
Rot. Bonds7

About 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid

3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid (PubChem CID 43354817) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
PubChem CID43354817
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C9H13N5O3S/c15-7(10-4-3-8(16)17)5-18-9-11-12-13-14(9)6-1-2-6/h6H,1-5H2,(H,10,15)(H,16,17)
InChIKeyWDYSFSOXUHAKFB-UHFFFAOYSA-N
XLogP-0.31
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858166
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
CID 17425758
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylacetamide
CID 17511592
N-cyclopropyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 16383307
N-Cyclopropyl-2-[(1-cyclopropyl-1H-tetrazol-5-yl)thio]acetamide
CID 16390342
N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 17394500
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylpropanamide
CID 17511658
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylacetamide
CID 17530341
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide
CID 24231389
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpropanamide
CID 24236253
N-butan-2-yl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 24245855
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 24518520

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid (CID 43354817) is 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid is O=C(O)CCNC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid?
The InChIKey is WDYSFSOXUHAKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c15-7(10-4-3-8(16)17)5-18-9-11-12-13-14(9)6-1-2-6/h6H,1-5H2,(H,10,15)(H,16,17).
What are the key properties of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid?
3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid has a molecular weight of 271.30 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid is sourced from PubChem (CID 43354817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).