2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid

C10H16N6O4 — CID 116735018

IUPAC2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid
SMILESCNC(=O)NC(=O)C(C)n1cc(CC(N)C(=O)O)nn1
InChIInChI=1S/C10H16N6O4/c1-5(8(17)13-10(20)12-2)16-4-6(14-15-16)3-7(11)9(18)19/h4-5,7H,3,11H2,1-2H3,(H,18,19)(H2,12,13,17,20)
InChIKeyHZHUETZYPIGZKE-UHFFFAOYSA-N
MW284.28 g/mol
LogP-1.75
Rot. Bonds5

About 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid

2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid (PubChem CID 116735018) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid
PubChem CID116735018
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid
SMILESCNC(=O)NC(=O)C(C)n1cc(CC(N)C(=O)O)nn1
InChIInChI=1S/C10H16N6O4/c1-5(8(17)13-10(20)12-2)16-4-6(14-15-16)3-7(11)9(18)19/h4-5,7H,3,11H2,1-2H3,(H,18,19)(H2,12,13,17,20)
InChIKeyHZHUETZYPIGZKE-UHFFFAOYSA-N
XLogP-1.75
TPSA152.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic 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-amino-3-[1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid
CID 116735197
2-(4-formyltriazol-1-yl)-N-(methylcarbamoyl)propanamide
CID 66213759
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219
2-[4-(4-aminobutyl)triazol-1-yl]-N-(ethylcarbamoyl)propanamide
CID 106209559
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide
CID 62951828
N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194200
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
CID 66192085
2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 82202074
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
2-amino-3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735023
2-amino-3-(1-pentyltriazol-4-yl)propanoic acid
CID 91449127

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid (CID 116735018) is 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid is CNC(=O)NC(=O)C(C)n1cc(CC(N)C(=O)O)nn1.
What is the InChIKey of 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid?
The InChIKey is HZHUETZYPIGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O4/c1-5(8(17)13-10(20)12-2)16-4-6(14-15-16)3-7(11)9(18)19/h4-5,7H,3,11H2,1-2H3,(H,18,19)(H2,12,13,17,20).
What are the key properties of 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid?
2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid has a molecular weight of 284.28 g/mol, XLogP of -1.75, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid is sourced from PubChem (CID 116735018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).