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

C10H15N5O5 — CID 106303335

IUPAC2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
SMILESCCn1cnnc1CNC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C10H15N5O5/c1-2-15-6-12-14-7(15)3-11-10(19)13-8(16)4-20-5-9(17)18/h6H,2-5H2,1H3,(H,17,18)(H2,11,13,16,19)
InChIKeyNKOPPXMFCITSHQ-UHFFFAOYSA-N
MW285.26 g/mol
LogP-1.27
Rot. Bonds7

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

2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 106303335) has the molecular formula C10H15N5O5 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID106303335
Molecular FormulaC10H15N5O5
Molecular Weight285.26 g/mol
Exact Mass285.11
IUPAC Name2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
SMILESCCn1cnnc1CNC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C10H15N5O5/c1-2-15-6-12-14-7(15)3-11-10(19)13-8(16)4-20-5-9(17)18/h6H,2-5H2,1H3,(H,17,18)(H2,11,13,16,19)
InChIKeyNKOPPXMFCITSHQ-UHFFFAOYSA-N
XLogP-1.27
TPSA135.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid (CID 106303335) is 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid is CCn1cnnc1CNC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is NKOPPXMFCITSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O5/c1-2-15-6-12-14-7(15)3-11-10(19)13-8(16)4-20-5-9(17)18/h6H,2-5H2,1H3,(H,17,18)(H2,11,13,16,19).
What are the key properties of 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 285.26 g/mol, XLogP of -1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 106303335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).