2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid

C11H19N5O3 — CID 115458155

IUPAC2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid
SMILESCCCC(CN)C(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H19N5O3/c1-2-3-8(4-12)11(19)13-5-9-6-16(15-14-9)7-10(17)18/h6,8H,2-5,7,12H2,1H3,(H,13,19)(H,17,18)
InChIKeyZPMJAEANGKFABT-UHFFFAOYSA-N
MW269.31 g/mol
LogP-0.65
Rot. Bonds8

About 2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid

2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid (PubChem CID 115458155) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid
PubChem CID115458155
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid
SMILESCCCC(CN)C(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H19N5O3/c1-2-3-8(4-12)11(19)13-5-9-6-16(15-14-9)7-10(17)18/h6,8H,2-5,7,12H2,1H3,(H,13,19)(H,17,18)
InChIKeyZPMJAEANGKFABT-UHFFFAOYSA-N
XLogP-0.65
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid (CID 115458155) is 2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid is CCCC(CN)C(=O)NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid?
The InChIKey is ZPMJAEANGKFABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-2-3-8(4-12)11(19)13-5-9-6-16(15-14-9)7-10(17)18/h6,8H,2-5,7,12H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid?
2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid has a molecular weight of 269.31 g/mol, XLogP of -0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).