(2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid

C17H20N2O4S — CID 24901474

IUPAC(2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)c(N)c1)C(=O)O
InChIInChI=1S/C17H20N2O4S/c1-11(2)16(17(20)21)19-24(22,23)13-8-9-14(15(18)10-13)12-6-4-3-5-7-12/h3-11,16,19H,18H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyYEKGSQOVPVQUAB-MRXNPFEDSA-N
MW348.42 g/mol
LogP2.32
Rot. Bonds6

About (2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid

(2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 24901474) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID24901474
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)c(N)c1)C(=O)O
InChIInChI=1S/C17H20N2O4S/c1-11(2)16(17(20)21)19-24(22,23)13-8-9-14(15(18)10-13)12-6-4-3-5-7-12/h3-11,16,19H,18H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyYEKGSQOVPVQUAB-MRXNPFEDSA-N
XLogP2.32
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid (CID 24901474) is (2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid is CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)c(N)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is YEKGSQOVPVQUAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11(2)16(17(20)21)19-24(22,23)13-8-9-14(15(18)10-13)12-6-4-3-5-7-12/h3-11,16,19H,18H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 348.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-4-phenylphenyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 24901474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).