2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid

C6H10N4O2 — CID 96739590

IUPAC2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
SMILESC[C@@H](N)c1cn(CC(=O)O)nn1
InChIInChI=1S/C6H10N4O2/c1-4(7)5-2-10(9-8-5)3-6(11)12/h2,4H,3,7H2,1H3,(H,11,12)/t4-/m1/s1
InChIKeyOAUHHNBQMFOTHL-SCSAIBSYSA-N
MW170.17 g/mol
LogP-0.62
Rot. Bonds3

About 2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid

2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid (PubChem CID 96739590) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
PubChem CID96739590
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
SMILESC[C@@H](N)c1cn(CC(=O)O)nn1
InChIInChI=1S/C6H10N4O2/c1-4(7)5-2-10(9-8-5)3-6(11)12/h2,4H,3,7H2,1H3,(H,11,12)/t4-/m1/s1
InChIKeyOAUHHNBQMFOTHL-SCSAIBSYSA-N
XLogP-0.62
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419547
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 114419810
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 114420083
1-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114420023
3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol
CID 114420161

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid (CID 96739590) is 2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid is C[C@@H](N)c1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid?
The InChIKey is OAUHHNBQMFOTHL-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(7)5-2-10(9-8-5)3-6(11)12/h2,4H,3,7H2,1H3,(H,11,12)/t4-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid?
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid has a molecular weight of 170.17 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 96739590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).