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

C13H24N4O2 — CID 106488037

IUPAC2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid
SMILESCCCC(CN)(Cc1ncnn1CC(C)C)C(=O)O
InChIInChI=1S/C13H24N4O2/c1-4-5-13(8-14,12(18)19)6-11-15-9-16-17(11)7-10(2)3/h9-10H,4-8,14H2,1-3H3,(H,18,19)
InChIKeyIMVLTFJKQGYKGF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.31
Rot. Bonds8

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

2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid (PubChem CID 106488037) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid
PubChem CID106488037
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid
SMILESCCCC(CN)(Cc1ncnn1CC(C)C)C(=O)O
InChIInChI=1S/C13H24N4O2/c1-4-5-13(8-14,12(18)19)6-11-15-9-16-17(11)7-10(2)3/h9-10H,4-8,14H2,1-3H3,(H,18,19)
InChIKeyIMVLTFJKQGYKGF-UHFFFAOYSA-N
XLogP1.31
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate
CID 106488249
1-amino-2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66038636
2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol
CID 66023702
ethyl 2-(aminomethyl)-4-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentanoate
CID 106488835
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
3-amino-3-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-one
CID 116590520
3,3,3-trifluoro-2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanoic acid
CID 79789679
(2S)-2-amino-3-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylsulfanyl]butanoic acid
CID 106443914
1,1-difluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-one
CID 112574058
2-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-2-amine
CID 115970075
2-benzyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 79013748
5-(3-chloro-2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 66060167

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid (CID 106488037) is 2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid is CCCC(CN)(Cc1ncnn1CC(C)C)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid?
The InChIKey is IMVLTFJKQGYKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-5-13(8-14,12(18)19)6-11-15-9-16-17(11)7-10(2)3/h9-10H,4-8,14H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid?
2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid is sourced from PubChem (CID 106488037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).