2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid

C10H19N5O2 — CID 62637803

IUPAC2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid
SMILESCCCCn1nnnc1CN(C)C(C)C(=O)O
InChIInChI=1S/C10H19N5O2/c1-4-5-6-15-9(11-12-13-15)7-14(3)8(2)10(16)17/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyODFVGQDHXGJXMN-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.38
Rot. Bonds7

About 2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid

2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid (PubChem CID 62637803) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid
PubChem CID62637803
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid
SMILESCCCCn1nnnc1CN(C)C(C)C(=O)O
InChIInChI=1S/C10H19N5O2/c1-4-5-6-15-9(11-12-13-15)7-14(3)8(2)10(16)17/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyODFVGQDHXGJXMN-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid (CID 62637803) is 2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid is CCCCn1nnnc1CN(C)C(C)C(=O)O.
What is the InChIKey of 2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid?
The InChIKey is ODFVGQDHXGJXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-4-5-6-15-9(11-12-13-15)7-14(3)8(2)10(16)17/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid?
2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 62637803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).