2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid

C9H15N5O3 — CID 107440581

IUPAC2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
SMILESCc1nnc(CN(CC(N)=O)CC(=O)O)n1C
InChIInChI=1S/C9H15N5O3/c1-6-11-12-8(13(6)2)4-14(3-7(10)15)5-9(16)17/h3-5H2,1-2H3,(H2,10,15)(H,16,17)
InChIKeyZTIKURDGHGQZSU-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.50
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid (PubChem CID 107440581) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
PubChem CID107440581
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
SMILESCc1nnc(CN(CC(N)=O)CC(=O)O)n1C
InChIInChI=1S/C9H15N5O3/c1-6-11-12-8(13(6)2)4-14(3-7(10)15)5-9(16)17/h3-5H2,1-2H3,(H2,10,15)(H,16,17)
InChIKeyZTIKURDGHGQZSU-UHFFFAOYSA-N
XLogP-1.50
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid with MolForge

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(5-chloro-1-methylimidazol-2-yl)methyl]amino]acetic acid
CID 107440376
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol
CID 60967614
4-(4,5-dimethyl-1,2,4-triazol-3-yl)butanoic acid
CID 50988979
methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate
CID 71917612
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613823
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine
CID 156857462
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoropropanoic acid
CID 165466807
N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride
CID 119571144
2-[(5-chlorothiophen-2-yl)methyl-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
CID 138004156
2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid
CID 107461851
2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid (CID 107440581) is 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid is Cc1nnc(CN(CC(N)=O)CC(=O)O)n1C.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid?
The InChIKey is ZTIKURDGHGQZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-6-11-12-8(13(6)2)4-14(3-7(10)15)5-9(16)17/h3-5H2,1-2H3,(H2,10,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid has a molecular weight of 241.25 g/mol, XLogP of -1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 107440581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).