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

C10H16N6O4 — CID 106303782

IUPAC2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid
SMILESCCn1cnnc1CNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H16N6O4/c1-2-16-6-14-15-7(16)3-12-10(20)13-4-8(17)11-5-9(18)19/h6H,2-5H2,1H3,(H,11,17)(H,18,19)(H2,12,13,20)
InChIKeyXODWWHSFJCCHBS-UHFFFAOYSA-N
MW284.28 g/mol
LogP-1.70
Rot. Bonds7

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

2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid (PubChem CID 106303782) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid
PubChem CID106303782
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid
SMILESCCn1cnnc1CNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H16N6O4/c1-2-16-6-14-15-7(16)3-12-10(20)13-4-8(17)11-5-9(18)19/h6H,2-5H2,1H3,(H,11,17)(H,18,19)(H2,12,13,20)
InChIKeyXODWWHSFJCCHBS-UHFFFAOYSA-N
XLogP-1.70
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 ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 106302145
1-[[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 114170931
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
CID 106303335
2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 63330525
2-[[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]-4-methylpentanoic acid
CID 106303642
(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 114170932
(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 114170925
2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106303744
3-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303640
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303825

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid (CID 106303782) is 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid is CCn1cnnc1CNC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
The InChIKey is XODWWHSFJCCHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O4/c1-2-16-6-14-15-7(16)3-12-10(20)13-4-8(17)11-5-9(18)19/h6H,2-5H2,1H3,(H,11,17)(H,18,19)(H2,12,13,20).
What are the key properties of 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid has a molecular weight of 284.28 g/mol, XLogP of -1.70, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 106303782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).