2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid

C9H14N4O5S — CID 79373274

IUPAC2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESCCn1cnc(S(=O)(=O)NCC(=O)NCC(=O)O)c1
InChIInChI=1S/C9H14N4O5S/c1-2-13-5-8(11-6-13)19(17,18)12-3-7(14)10-4-9(15)16/h5-6,12H,2-4H2,1H3,(H,10,14)(H,15,16)
InChIKeyJCDGMOJUPDPZQW-UHFFFAOYSA-N
MW290.30 g/mol
LogP-1.62
Rot. Bonds7

About 2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid

2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid (PubChem CID 79373274) has the molecular formula C9H14N4O5S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
PubChem CID79373274
Molecular FormulaC9H14N4O5S
Molecular Weight290.30 g/mol
Exact Mass290.07
IUPAC Name2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESCCn1cnc(S(=O)(=O)NCC(=O)NCC(=O)O)c1
InChIInChI=1S/C9H14N4O5S/c1-2-13-5-8(11-6-13)19(17,18)12-3-7(14)10-4-9(15)16/h5-6,12H,2-4H2,1H3,(H,10,14)(H,15,16)
InChIKeyJCDGMOJUPDPZQW-UHFFFAOYSA-N
XLogP-1.62
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid (CID 79373274) is 2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid is CCn1cnc(S(=O)(=O)NCC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is JCDGMOJUPDPZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5S/c1-2-13-5-8(11-6-13)19(17,18)12-3-7(14)10-4-9(15)16/h5-6,12H,2-4H2,1H3,(H,10,14)(H,15,16).
What are the key properties of 2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 290.30 g/mol, XLogP of -1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 79373274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).