(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid

C14H19NO6S — CID 119370188

IUPAC(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)CC(C)C(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C14H19NO6S/c1-9(13(16)15-10(2)14(17)18)8-22(19,20)12-6-4-11(21-3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)/t9?,10-/m1/s1
InChIKeyFFAYBEPDQKWNSW-QVDQXJPCSA-N
MW329.37 g/mol
LogP0.69
Rot. Bonds7

About (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid

(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid (PubChem CID 119370188) has the molecular formula C14H19NO6S and a molecular weight of 329.37 g/mol. Its IUPAC name is (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid
PubChem CID119370188
Molecular FormulaC14H19NO6S
Molecular Weight329.37 g/mol
Exact Mass329.09
IUPAC Name(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)CC(C)C(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C14H19NO6S/c1-9(13(16)15-10(2)14(17)18)8-22(19,20)12-6-4-11(21-3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)/t9?,10-/m1/s1
InChIKeyFFAYBEPDQKWNSW-QVDQXJPCSA-N
XLogP0.69
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic 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

(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119613885
N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 120569069
2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18368954
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510894
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
(2S)-2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119238130
N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119618224
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride
CID 120887429
2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 47218302
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid (CID 119370188) is (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid is COc1ccc(S(=O)(=O)CC(C)C(=O)N[C@H](C)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid?
The InChIKey is FFAYBEPDQKWNSW-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H19NO6S/c1-9(13(16)15-10(2)14(17)18)8-22(19,20)12-6-4-11(21-3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid?
(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid has a molecular weight of 329.37 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 119370188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).