2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid

C10H14N4O6S — CID 119346495

IUPAC2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1
InChIInChI=1S/C10H14N4O6S/c1-14(5-9(16)17)8(15)4-13-21(19,20)6-2-7(10(11)18)12-3-6/h2-3,12-13H,4-5H2,1H3,(H2,11,18)(H,16,17)
InChIKeyPUQPPBOGKBYFBR-UHFFFAOYSA-N
MW318.31 g/mol
LogP-2.07
Rot. Bonds7

About 2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid

2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid (PubChem CID 119346495) has the molecular formula C10H14N4O6S and a molecular weight of 318.31 g/mol. Its IUPAC name is 2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid
PubChem CID119346495
Molecular FormulaC10H14N4O6S
Molecular Weight318.31 g/mol
Exact Mass318.06
IUPAC Name2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1
InChIInChI=1S/C10H14N4O6S/c1-14(5-9(16)17)8(15)4-13-21(19,20)6-2-7(10(11)18)12-3-6/h2-3,12-13H,4-5H2,1H3,(H2,11,18)(H,16,17)
InChIKeyPUQPPBOGKBYFBR-UHFFFAOYSA-N
XLogP-2.07
TPSA162.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid
CID 119346707
1-[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-3-methylpiperidine-2-carboxylic acid
CID 122126282
4-[[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119620046
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate
CID 71863636
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
N,N-dimethyl-2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]acetamide
CID 43629293
5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide
CID 16780083
4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65034109
4-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 66186719
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
CID 64606557
4-[(4-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780350
methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 6625900

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid (CID 119346495) is 2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1.
What is the InChIKey of 2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid?
The InChIKey is PUQPPBOGKBYFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O6S/c1-14(5-9(16)17)8(15)4-13-21(19,20)6-2-7(10(11)18)12-3-6/h2-3,12-13H,4-5H2,1H3,(H2,11,18)(H,16,17).
What are the key properties of 2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid?
2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid has a molecular weight of 318.31 g/mol, XLogP of -2.07, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid is sourced from PubChem (CID 119346495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).