(2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid

C10H14N2O6S — CID 119369320

IUPAC(2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)O
InChIInChI=1S/C10H14N2O6S/c1-5(2)8(10(14)15)12-9(13)6-3-4-7(18-6)19(11,16)17/h3-5,8H,1-2H3,(H,12,13)(H,14,15)(H2,11,16,17)/t8-/m1/s1
InChIKeyKKHPBIVYBJGEDZ-MRVPVSSYSA-N
MW290.30 g/mol
LogP-0.23
Rot. Bonds5

About (2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid (PubChem CID 119369320) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid
PubChem CID119369320
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name(2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)O
InChIInChI=1S/C10H14N2O6S/c1-5(2)8(10(14)15)12-9(13)6-3-4-7(18-6)19(11,16)17/h3-5,8H,1-2H3,(H,12,13)(H,14,15)(H2,11,16,17)/t8-/m1/s1
InChIKeyKKHPBIVYBJGEDZ-MRVPVSSYSA-N
XLogP-0.23
TPSA139.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 43353960
(2R)-2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 79009314
N-(2-methylpropyl)-5-sulfamoylfuran-2-carboxamide
CID 47318772
(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369372
(2R)-2-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119368356
(2S)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 94317037
(2S)-2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid
CID 61389773
N-butyl-5-sulfamoylfuran-2-carboxamide
CID 47175951
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 43170259
N-(2-ethylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 47176444
(2R)-2-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369410
(2S)-2-[(4-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 61137378

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid (CID 119369320) is (2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid is CC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid?
The InChIKey is KKHPBIVYBJGEDZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c1-5(2)8(10(14)15)12-9(13)6-3-4-7(18-6)19(11,16)17/h3-5,8H,1-2H3,(H,12,13)(H,14,15)(H2,11,16,17)/t8-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid has a molecular weight of 290.30 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(5-sulfamoylfuran-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119369320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).