(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid

C14H19NO7S — CID 120605776

IUPAC(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)c(OC)c1
InChIInChI=1S/C14H19NO7S/c1-8(2)12(13(16)17)15-23(19,20)11-6-5-9(14(18)22-4)7-10(11)21-3/h5-8,12,15H,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyQRFJJUQTELQSJU-GFCCVEGCSA-N
MW345.37 g/mol
LogP0.87
Rot. Bonds7

About (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid

(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 120605776) has the molecular formula C14H19NO7S and a molecular weight of 345.37 g/mol. Its IUPAC name is (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID120605776
Molecular FormulaC14H19NO7S
Molecular Weight345.37 g/mol
Exact Mass345.09
IUPAC Name(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)c(OC)c1
InChIInChI=1S/C14H19NO7S/c1-8(2)12(13(16)17)15-23(19,20)11-6-5-9(14(18)22-4)7-10(11)21-3/h5-8,12,15H,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyQRFJJUQTELQSJU-GFCCVEGCSA-N
XLogP0.87
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 43244846
(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 120605778
5-[[(1R)-1-carboxy-2-methylpropyl]sulfamoyl]-2-methoxybenzoic acid
CID 97032269
2-[(3-fluoro-5-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 122067948
methyl 4-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]benzoate
CID 40855028
methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate
CID 17411637
2-[(4-fluoro-2-methoxyphenyl)sulfonylamino]-3-methylpentanoic acid
CID 154800673
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 7127688
2-[(2-methoxycarbonyl-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 122067773
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride
CID 120711512
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 44669136

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid (CID 120605776) is (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid is COC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)c(OC)c1.
What is the InChIKey of (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is QRFJJUQTELQSJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO7S/c1-8(2)12(13(16)17)15-23(19,20)11-6-5-9(14(18)22-4)7-10(11)21-3/h5-8,12,15H,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 345.37 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 120605776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).