2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid

C11H19N5O4 — CID 79272290

IUPAC2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C11H19N5O4/c1-8-12-9(14-13-8)6-15(2)11(19)16(4-5-20-3)7-10(17)18/h4-7H2,1-3H3,(H,17,18)(H,12,13,14)
InChIKeyQOUJYLDDKSBBCU-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.30
Rot. Bonds7

About 2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid

2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid (PubChem CID 79272290) has the molecular formula C11H19N5O4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid
PubChem CID79272290
Molecular FormulaC11H19N5O4
Molecular Weight285.30 g/mol
Exact Mass285.14
IUPAC Name2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C11H19N5O4/c1-8-12-9(14-13-8)6-15(2)11(19)16(4-5-20-3)7-10(17)18/h4-7H2,1-3H3,(H,17,18)(H,12,13,14)
InChIKeyQOUJYLDDKSBBCU-UHFFFAOYSA-N
XLogP-0.30
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid (CID 79272290) is 2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of 2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid?
The InChIKey is QOUJYLDDKSBBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4/c1-8-12-9(14-13-8)6-15(2)11(19)16(4-5-20-3)7-10(17)18/h4-7H2,1-3H3,(H,17,18)(H,12,13,14).
What are the key properties of 2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid has a molecular weight of 285.30 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 79272290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).