3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid

C9H14N4O3 — CID 82003198

IUPAC3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid
SMILESCOCc1nnnn1C(CC(=O)O)C1CC1
InChIInChI=1S/C9H14N4O3/c1-16-5-8-10-11-12-13(8)7(4-9(14)15)6-2-3-6/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyRWGWKPVELISMOS-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.25
Rot. Bonds6

About 3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid

3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid (PubChem CID 82003198) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid
PubChem CID82003198
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid
SMILESCOCc1nnnn1C(CC(=O)O)C1CC1
InChIInChI=1S/C9H14N4O3/c1-16-5-8-10-11-12-13(8)7(4-9(14)15)6-2-3-6/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyRWGWKPVELISMOS-UHFFFAOYSA-N
XLogP0.25
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid (CID 82003198) is 3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid is COCc1nnnn1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid?
The InChIKey is RWGWKPVELISMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-16-5-8-10-11-12-13(8)7(4-9(14)15)6-2-3-6/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid?
3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid has a molecular weight of 226.24 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 82003198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).