2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid

C8H15N5O2 — CID 63152259

IUPAC2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nnnn1C
InChIInChI=1S/C8H15N5O2/c1-6(2)4-13(5-7(14)15)8-9-10-11-12(8)3/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyCYLYALCDMMJIQP-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.24
Rot. Bonds5

About 2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid

2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid (PubChem CID 63152259) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid
PubChem CID63152259
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nnnn1C
InChIInChI=1S/C8H15N5O2/c1-6(2)4-13(5-7(14)15)8-9-10-11-12(8)3/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyCYLYALCDMMJIQP-UHFFFAOYSA-N
XLogP-0.24
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid (CID 63152259) is 2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid is CC(C)CN(CC(=O)O)c1nnnn1C.
What is the InChIKey of 2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid?
The InChIKey is CYLYALCDMMJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-6(2)4-13(5-7(14)15)8-9-10-11-12(8)3/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid?
2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid has a molecular weight of 213.24 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid is sourced from PubChem (CID 63152259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).