(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid

C12H18N2O6S — CID 119369372

IUPAC(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O
InChIInChI=1S/C12H18N2O6S/c1-7(2)10(12(16)17)14-11(15)9-5-4-8(20-9)6-13-21(3,18)19/h4-5,7,10,13H,6H2,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyZRNVSKPZACDNHL-SNVBAGLBSA-N
MW318.35 g/mol
LogP0.17
Rot. Bonds7

About (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid

(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 119369372) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
PubChem CID119369372
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O
InChIInChI=1S/C12H18N2O6S/c1-7(2)10(12(16)17)14-11(15)9-5-4-8(20-9)6-13-21(3,18)19/h4-5,7,10,13H,6H2,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyZRNVSKPZACDNHL-SNVBAGLBSA-N
XLogP0.17
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533805
5-(methanesulfonamidomethyl)-N-(1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide
CID 75377815
2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid
CID 120518633
(2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid
CID 119369320
N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
CID 119667798
(2R)-2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 79009314
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 43353960
(2R)-2-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369410
6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
CID 119352313
N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide
CID 119642867
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 43170259
N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide
CID 119660341

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid (CID 119369372) is (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O.
What is the InChIKey of (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is ZRNVSKPZACDNHL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-7(2)10(12(16)17)14-11(15)9-5-4-8(20-9)6-13-21(3,18)19/h4-5,7,10,13H,6H2,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid?
(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 318.35 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 119369372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).