2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid

C12H21N5O2 — CID 91776393

IUPAC2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid
SMILESCCn1c(CN(C)CC(=O)O)nnc1C1CC(N)C1
InChIInChI=1S/C12H21N5O2/c1-3-17-10(6-16(2)7-11(18)19)14-15-12(17)8-4-9(13)5-8/h8-9H,3-7,13H2,1-2H3,(H,18,19)
InChIKeyUFVISLCIRGJVGU-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.02
Rot. Bonds6

About 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid

2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid (PubChem CID 91776393) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid
PubChem CID91776393
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid
SMILESCCn1c(CN(C)CC(=O)O)nnc1C1CC(N)C1
InChIInChI=1S/C12H21N5O2/c1-3-17-10(6-16(2)7-11(18)19)14-15-12(17)8-4-9(13)5-8/h8-9H,3-7,13H2,1-2H3,(H,18,19)
InChIKeyUFVISLCIRGJVGU-UHFFFAOYSA-N
XLogP0.02
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]cyclobutane-1-carboxylate
CID 86789327
cis-3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765640
N~2~-{[5-(trans-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-N~1~,N~2~-dimethylglycinamide
CID 91766989
2-[[5-(3-Aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 154902468
2-(3-(3,3-Difluorocyclobutyl)-5-methyl-4H-1,2,4-triazol-4-yl)acetic acid
CID 168026483
2-[3-(3,3-Difluorocyclobutyl)-5-methyl-1,2,4-triazol-4-yl]propanoic acid
CID 168026484
2-[3-(3,3-Difluorocyclobutyl)-5-methyl-1,2,4-triazol-4-yl]-3-methylbutanoic acid
CID 168026486
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]propanoic acid
CID 43524944
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylbutanoic acid
CID 43524945
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpentanoic acid
CID 43619709
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]pentanoic acid
CID 43631794
2-[Cyclopropylmethyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
CID 43656732

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid (CID 91776393) is 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid is CCn1c(CN(C)CC(=O)O)nnc1C1CC(N)C1.
What is the InChIKey of 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid?
The InChIKey is UFVISLCIRGJVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-17-10(6-16(2)7-11(18)19)14-15-12(17)8-4-9(13)5-8/h8-9H,3-7,13H2,1-2H3,(H,18,19).
What are the key properties of 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid?
2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 91776393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).