2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid

C10H18N4O2 — CID 83040599

IUPAC2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid
SMILESCCCC(NCCc1nncn1C)C(=O)O
InChIInChI=1S/C10H18N4O2/c1-3-4-8(10(15)16)11-6-5-9-13-12-7-14(9)2/h7-8,11H,3-6H2,1-2H3,(H,15,16)
InChIKeyVYVHBXVQKFRZLN-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.20
Rot. Bonds7

About 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid

2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid (PubChem CID 83040599) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid
PubChem CID83040599
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid
SMILESCCCC(NCCc1nncn1C)C(=O)O
InChIInChI=1S/C10H18N4O2/c1-3-4-8(10(15)16)11-6-5-9-13-12-7-14(9)2/h7-8,11H,3-6H2,1-2H3,(H,15,16)
InChIKeyVYVHBXVQKFRZLN-UHFFFAOYSA-N
XLogP0.20
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoic acid
CID 103251264
(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 94351540
(2S)-3-hydroxy-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 63330039
methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332871
(2S)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 55202295
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 103251288
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid
CID 103258017
N-tert-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 55202094
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylpropanoic acid
CID 64561158
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid?
The IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid (CID 83040599) is 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid?
The canonical SMILES for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid is CCCC(NCCc1nncn1C)C(=O)O.
What is the InChIKey of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid?
The InChIKey is VYVHBXVQKFRZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-4-8(10(15)16)11-6-5-9-13-12-7-14(9)2/h7-8,11H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid?
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 83040599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).