2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid

C10H16N6O4 — CID 63330525

IUPAC2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
SMILESCn1cnnc1CCNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H16N6O4/c1-16-6-14-15-7(16)2-3-11-10(20)13-4-8(17)12-5-9(18)19/h6H,2-5H2,1H3,(H,12,17)(H,18,19)(H2,11,13,20)
InChIKeyBRLSFYYOGJFUCG-UHFFFAOYSA-N
MW284.28 g/mol
LogP-2.14
Rot. Bonds7

About 2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid

2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid (PubChem CID 63330525) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
PubChem CID63330525
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
SMILESCn1cnnc1CCNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H16N6O4/c1-16-6-14-15-7(16)2-3-11-10(20)13-4-8(17)12-5-9(18)19/h6H,2-5H2,1H3,(H,12,17)(H,18,19)(H2,11,13,20)
InChIKeyBRLSFYYOGJFUCG-UHFFFAOYSA-N
XLogP-2.14
TPSA138.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid (CID 63330525) is 2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid is Cn1cnnc1CCNC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
The InChIKey is BRLSFYYOGJFUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O4/c1-16-6-14-15-7(16)2-3-11-10(20)13-4-8(17)12-5-9(18)19/h6H,2-5H2,1H3,(H,12,17)(H,18,19)(H2,11,13,20).
What are the key properties of 2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid has a molecular weight of 284.28 g/mol, XLogP of -2.14, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 63330525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).