(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid

C10H14N4O6S — CID 63713897

IUPAC(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O6S/c1-14-4-5(21(12,19)20)2-7(14)9(16)13-6(10(17)18)3-8(11)15/h2,4,6H,3H2,1H3,(H2,11,15)(H,13,16)(H,17,18)(H2,12,19,20)/t6-/m0/s1
InChIKeyLOJKOQQTOBELKU-LURJTMIESA-N
MW318.31 g/mol
LogP-2.27
Rot. Bonds6

About (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid

(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 63713897) has the molecular formula C10H14N4O6S and a molecular weight of 318.31 g/mol. Its IUPAC name is (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
PubChem CID63713897
Molecular FormulaC10H14N4O6S
Molecular Weight318.31 g/mol
Exact Mass318.06
IUPAC Name(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O6S/c1-14-4-5(21(12,19)20)2-7(14)9(16)13-6(10(17)18)3-8(11)15/h2,4,6H,3H2,1H3,(H2,11,15)(H,13,16)(H,17,18)(H2,12,19,20)/t6-/m0/s1
InChIKeyLOJKOQQTOBELKU-LURJTMIESA-N
XLogP-2.27
TPSA174.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 5-2.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 64670920
N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65381407
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
(2R)-4-amino-2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821533
(2S)-4-amino-2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 63715407
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
(2S)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142375
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide
CID 166370858

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid (CID 63713897) is (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid is Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is LOJKOQQTOBELKU-LURJTMIESA-N. The full InChI is InChI=1S/C10H14N4O6S/c1-14-4-5(21(12,19)20)2-7(14)9(16)13-6(10(17)18)3-8(11)15/h2,4,6H,3H2,1H3,(H2,11,15)(H,13,16)(H,17,18)(H2,12,19,20)/t6-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 318.31 g/mol, XLogP of -2.27, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 63713897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).