4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid

C9H14N4O3 — CID 103160438

IUPAC4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1C1CC1
InChIInChI=1S/C9H14N4O3/c1-16-7(4-8(14)15)5-13-9(6-2-3-6)10-11-12-13/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyRSPGOGFOPWACMO-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.04
Rot. Bonds6

About 4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid

4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid (PubChem CID 103160438) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid
PubChem CID103160438
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1C1CC1
InChIInChI=1S/C9H14N4O3/c1-16-7(4-8(14)15)5-13-9(6-2-3-6)10-11-12-13/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyRSPGOGFOPWACMO-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methoxy-4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid
CID 103160356
3-Methoxy-4-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 103160396
4-[5-(Difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160431
3-Methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 103160471
3-Methoxy-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid
CID 103160521
3-Methoxy-4-[5-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-1-yl]butanoic acid
CID 103213555
3-Methoxy-4-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]butanoic acid
CID 103213557
4-[5-[2-(2,2-Difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid
CID 103213558
3-Methoxy-4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid
CID 113782606
3-Ethoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 114227247
3-Ethoxy-2-[(1-ethyltetrazol-5-yl)methyl]-3-oxopropanoic acid
CID 90715310
4-(5-Cyclopropyltetrazol-1-yl)butanoic acid
CID 64981209

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid?
The IUPAC name of 4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid (CID 103160438) is 4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid.
What is the SMILES notation for 4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid?
The canonical SMILES for 4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid is COC(CC(=O)O)Cn1nnnc1C1CC1.
What is the InChIKey of 4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid?
The InChIKey is RSPGOGFOPWACMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-16-7(4-8(14)15)5-13-9(6-2-3-6)10-11-12-13/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid?
4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid has a molecular weight of 226.24 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid is sourced from PubChem (CID 103160438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).