2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid

C8H11N3O5S — CID 107435842

IUPAC2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C8H11N3O5S/c9-7(12)4-11(5-8(13)14)17(15,16)6-1-2-10-3-6/h1-3,10H,4-5H2,(H2,9,12)(H,13,14)
InChIKeyGATNURKLFJWYMZ-UHFFFAOYSA-N
MW261.26 g/mol
LogP-1.42
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid (PubChem CID 107435842) has the molecular formula C8H11N3O5S and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid
PubChem CID107435842
Molecular FormulaC8H11N3O5S
Molecular Weight261.26 g/mol
Exact Mass261.04
IUPAC Name2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C8H11N3O5S/c9-7(12)4-11(5-8(13)14)17(15,16)6-1-2-10-3-6/h1-3,10H,4-5H2,(H2,9,12)(H,13,14)
InChIKeyGATNURKLFJWYMZ-UHFFFAOYSA-N
XLogP-1.42
TPSA133.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[propan-2-yl(1H-pyrrol-3-ylsulfonyl)amino]acetic acid
CID 60828806
2-[(2-amino-2-oxoethyl)-[4-(cyanomethyl)phenyl]sulfonylamino]acetic acid
CID 107435746
2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid
CID 705727
3-[methyl(1H-pyrrol-3-ylsulfonyl)amino]propanoic acid
CID 12037818
3-[N-(1H-pyrrol-3-ylsulfonyl)anilino]propanoic acid
CID 60830003
2-[(2-amino-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid
CID 107435837
2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid
CID 107435779
2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid
CID 107435853
2-[(2-amino-2-oxoethyl)-(2-chloro-4-methylphenyl)sulfonylamino]acetic acid
CID 107435628
2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923333
2-[methyl(1H-pyrrol-3-ylsulfonyl)amino]propanoic acid
CID 62626598
2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide
CID 62923168

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid (CID 107435842) is 2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid is NC(=O)CN(CC(=O)O)S(=O)(=O)c1cc[nH]c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid?
The InChIKey is GATNURKLFJWYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S/c9-7(12)4-11(5-8(13)14)17(15,16)6-1-2-10-3-6/h1-3,10H,4-5H2,(H2,9,12)(H,13,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid has a molecular weight of 261.26 g/mol, XLogP of -1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 107435842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).