2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid

C14H16N4O3S — CID 120697911

IUPAC2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCc1ccsc1C1CC1C(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C14H16N4O3S/c1-8-2-3-22-13(8)10-4-11(10)14(21)15-5-9-6-18(17-16-9)7-12(19)20/h2-3,6,10-11H,4-5,7H2,1H3,(H,15,21)(H,19,20)
InChIKeyRRUDGLJCNHFAGC-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.15
Rot. Bonds6

About 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid

2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid (PubChem CID 120697911) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
PubChem CID120697911
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCc1ccsc1C1CC1C(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C14H16N4O3S/c1-8-2-3-22-13(8)10-4-11(10)14(21)15-5-9-6-18(17-16-9)7-12(19)20/h2-3,6,10-11H,4-5,7H2,1H3,(H,15,21)(H,19,20)
InChIKeyRRUDGLJCNHFAGC-UHFFFAOYSA-N
XLogP1.15
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]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

2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698297
2-[4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115457463
2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697880
2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 114824565
(3R)-3-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]butanoic acid
CID 124845391
2-[4-[[[3-(methoxymethyl)thiophene-2-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698974
2-[4-[[(3-methylsulfanylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698719
2-[4-[[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458614
2-[4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457604
trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124623703
2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458139
2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115458165

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid (CID 120697911) is 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid is Cc1ccsc1C1CC1C(=O)NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is RRUDGLJCNHFAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8-2-3-22-13(8)10-4-11(10)14(21)15-5-9-6-18(17-16-9)7-12(19)20/h2-3,6,10-11H,4-5,7H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 320.37 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120697911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).