4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid

C10H19N5O2 — CID 81071397

IUPAC4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid
SMILESCC(CC(=O)O)Cn1nnnc1CCN(C)C
InChIInChI=1S/C10H19N5O2/c1-8(6-10(16)17)7-15-9(11-12-13-15)4-5-14(2)3/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyGRHAPGXIPFQYKR-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.11
Rot. Bonds7

About 4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid

4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid (PubChem CID 81071397) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid
PubChem CID81071397
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid
SMILESCC(CC(=O)O)Cn1nnnc1CCN(C)C
InChIInChI=1S/C10H19N5O2/c1-8(6-10(16)17)7-15-9(11-12-13-15)4-5-14(2)3/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyGRHAPGXIPFQYKR-UHFFFAOYSA-N
XLogP-0.11
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid
CID 114877455
3-methyl-4-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 81072066
4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81071951
3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 81067843
3-methyl-4-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]butanoic acid
CID 103213507
3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid
CID 81071652
4-[5-[(3,4-dimethylphenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81068864
4-[5-[(3,4-difluorophenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81067960
3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid
CID 81070219
4-[5-[(2-chloro-6-fluorophenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81068088
2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid
CID 66046752
3-methyl-4-[5-(3-methylphenyl)tetrazol-1-yl]butanoic acid
CID 81071820

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid?
The IUPAC name of 4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid (CID 81071397) is 4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid.
What is the SMILES notation for 4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid?
The canonical SMILES for 4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid is CC(CC(=O)O)Cn1nnnc1CCN(C)C.
What is the InChIKey of 4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid?
The InChIKey is GRHAPGXIPFQYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-8(6-10(16)17)7-15-9(11-12-13-15)4-5-14(2)3/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid?
4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid has a molecular weight of 241.29 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid is sourced from PubChem (CID 81071397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).