2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid

C11H17N5O3 — CID 115458127

IUPAC2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESNC1(CC(=O)NCc2cn(CC(=O)O)nn2)CCC1
InChIInChI=1S/C11H17N5O3/c12-11(2-1-3-11)4-9(17)13-5-8-6-16(15-14-8)7-10(18)19/h6H,1-5,7,12H2,(H,13,17)(H,18,19)
InChIKeyJQTKHWFYBRDWEU-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.75
Rot. Bonds6

About 2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid

2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115458127) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
PubChem CID115458127
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESNC1(CC(=O)NCc2cn(CC(=O)O)nn2)CCC1
InChIInChI=1S/C11H17N5O3/c12-11(2-1-3-11)4-9(17)13-5-8-6-16(15-14-8)7-10(18)19/h6H,1-5,7,12H2,(H,13,17)(H,18,19)
InChIKeyJQTKHWFYBRDWEU-UHFFFAOYSA-N
XLogP-0.75
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(1-aminocyclohexanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458075
2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458213
2-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458126
2-[4-[[(1-phenylcyclobutanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698595
2-[4-[[(2-methylthiolan-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458793
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458679
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-[4-[(cycloheptylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458494
2-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698661
2-[4-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 106216398
2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458123
2-[4-[[[1-(3,4-dichlorophenyl)cyclobutanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698552

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid (CID 115458127) is 2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid is NC1(CC(=O)NCc2cn(CC(=O)O)nn2)CCC1.
What is the InChIKey of 2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is JQTKHWFYBRDWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c12-11(2-1-3-11)4-9(17)13-5-8-6-16(15-14-8)7-10(18)19/h6H,1-5,7,12H2,(H,13,17)(H,18,19).
What are the key properties of 2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 267.29 g/mol, XLogP of -0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).