2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid

C10H18N4O2 — CID 107044919

IUPAC2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1cn(C)nn1
InChIInChI=1S/C10H18N4O2/c1-8(2)4-14(7-10(15)16)6-9-5-13(3)12-11-9/h5,8H,4,6-7H2,1-3H3,(H,15,16)
InChIKeyJLMJVFVUGIJCCE-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.36
Rot. Bonds6

About 2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid

2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid (PubChem CID 107044919) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid
PubChem CID107044919
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1cn(C)nn1
InChIInChI=1S/C10H18N4O2/c1-8(2)4-14(7-10(15)16)6-9-5-13(3)12-11-9/h5,8H,4,6-7H2,1-3H3,(H,15,16)
InChIKeyJLMJVFVUGIJCCE-UHFFFAOYSA-N
XLogP0.36
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-3-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]propanimidamide
CID 107043274
2-[(4-chlorophenyl)methyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid
CID 138004090
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064159
2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529611
3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782
4-[methyl-[(1-methyltriazol-4-yl)methyl]amino]butan-2-ol
CID 103866978
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
CID 103880987
2-methyl-4-(1-methyltriazol-4-yl)butanoic acid
CID 107058965
2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 132968617
N-(2-bromoethyl)-2,2-difluoro-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 107487611

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid (CID 107044919) is 2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid is CC(C)CN(CC(=O)O)Cc1cn(C)nn1.
What is the InChIKey of 2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid?
The InChIKey is JLMJVFVUGIJCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(2)4-14(7-10(15)16)6-9-5-13(3)12-11-9/h5,8H,4,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid?
2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 107044919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).