(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid

C14H22N2O6S — CID 119364373

IUPAC(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
SMILESCc1oc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N2O6S/c1-8(2)6-10(14(18)19)15-13(17)11-7-12(9(3)22-11)23(20,21)16(4)5/h7-8,10H,6H2,1-5H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyWKLVYELLVZZQJM-SNVBAGLBSA-N
MW346.41 g/mol
LogP1.07
Rot. Bonds7

About (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid

(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 119364373) has the molecular formula C14H22N2O6S and a molecular weight of 346.41 g/mol. Its IUPAC name is (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
PubChem CID119364373
Molecular FormulaC14H22N2O6S
Molecular Weight346.41 g/mol
Exact Mass346.12
IUPAC Name(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
SMILESCc1oc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N2O6S/c1-8(2)6-10(14(18)19)15-13(17)11-7-12(9(3)22-11)23(20,21)16(4)5/h7-8,10H,6H2,1-5H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyWKLVYELLVZZQJM-SNVBAGLBSA-N
XLogP1.07
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119361847
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid
CID 119367357
3-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]butanoic acid
CID 119347905
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119609108
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
CID 119364324
N-(2-amino-1-cyclohexylethyl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119592207
6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
CID 119352297
N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119588835
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119572156
(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid (CID 119364373) is (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid is Cc1oc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is WKLVYELLVZZQJM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N2O6S/c1-8(2)6-10(14(18)19)15-13(17)11-7-12(9(3)22-11)23(20,21)16(4)5/h7-8,10H,6H2,1-5H3,(H,15,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid?
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 346.41 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).