(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid

C15H21NO4S — CID 104901982

IUPAC(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H21NO4S/c17-15(18)14(11-12-7-3-1-4-8-12)16-21(19,20)13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2,(H,17,18)/t14-/m1/s1
InChIKeyNLYYVYRFNVFPSP-CQSZACIVSA-N
MW311.40 g/mol
LogP1.93
Rot. Bonds6

About (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid

(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid (PubChem CID 104901982) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
PubChem CID104901982
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H21NO4S/c17-15(18)14(11-12-7-3-1-4-8-12)16-21(19,20)13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2,(H,17,18)/t14-/m1/s1
InChIKeyNLYYVYRFNVFPSP-CQSZACIVSA-N
XLogP1.93
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic 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

(2S)-2-(oxan-4-ylsulfonylamino)-3-phenylpropanoic acid
CID 62048619
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 167838567
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
CID 102675549
N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide
CID 105361785
2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
CID 105360687
(2S)-2-[(4-cyclohexylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45290696
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232
2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
(2S)-2-benzyl-3-cyclohexylsulfonylpropanoic acid
CID 67853712

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid (CID 104901982) is (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid?
The InChIKey is NLYYVYRFNVFPSP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-15(18)14(11-12-7-3-1-4-8-12)16-21(19,20)13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid?
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid has a molecular weight of 311.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 104901982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).