(4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid

C16H26NO5PS — CID 166771339

IUPAC(4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid
SMILESCC(C)(C)S(=O)N[C@@H](CCC(=O)O)P(=O)(O)CCc1ccccc1
InChIInChI=1S/C16H26NO5PS/c1-16(2,3)24(22)17-14(9-10-15(18)19)23(20,21)12-11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3,(H,18,19)(H,20,21)/t14-,24?/m1/s1
InChIKeyOWSLMCXIXLAZBP-GMBBYQRISA-N
MW375.43 g/mol
LogP2.74
Rot. Bonds9

About (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid

(4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid (PubChem CID 166771339) has the molecular formula C16H26NO5PS and a molecular weight of 375.43 g/mol. Its IUPAC name is (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid.

Molecular Properties

Compound Name(4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid
PubChem CID166771339
Molecular FormulaC16H26NO5PS
Molecular Weight375.43 g/mol
Exact Mass375.13
IUPAC Name(4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid
SMILESCC(C)(C)S(=O)N[C@@H](CCC(=O)O)P(=O)(O)CCc1ccccc1
InChIInChI=1S/C16H26NO5PS/c1-16(2,3)24(22)17-14(9-10-15(18)19)23(20,21)12-11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3,(H,18,19)(H,20,21)/t14-,24?/m1/s1
InChIKeyOWSLMCXIXLAZBP-GMBBYQRISA-N
XLogP2.74
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic 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

N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide
CID 101420817
[(1S)-1-hydroxy-2-methylpropyl]-(2-phenylethyl)phosphinic acid
CID 949317
4-amino-4-[hydroxy-[2-(3-methylphenyl)ethyl]phosphoryl]butanoic acid
CID 151655394
(S)-N-[(3S)-4,4-dimethyl-1-phenylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 46946716
[amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid
CID 4834993
2-[1-[benzyl(hydroxy)phosphoryl]but-2-enyl]pentanedioic acid
CID 54066349
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate
CID 10756445
[(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid
CID 949709
methyl (3S)-3-[4-[bis(phenylmethoxy)phosphorylmethyl]phenyl]-3-(tert-butylsulfinylamino)propanoate
CID 101209658
3-[[(benzylamino)-phenylmethyl]-hydroxyphosphoryl]propanoic acid
CID 3460999
3-[[(S)-(benzylamino)-phenylmethyl]-hydroxyphosphoryl]propanoic acid
CID 7079116
2-[1-[hydroxy(1-phenylethyl)phosphoryl]ethyl]pentanedioic acid
CID 19357738

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid?
The IUPAC name of (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid (CID 166771339) is (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid.
What is the SMILES notation for (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid?
The canonical SMILES for (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid is CC(C)(C)S(=O)N[C@@H](CCC(=O)O)P(=O)(O)CCc1ccccc1.
What is the InChIKey of (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid?
The InChIKey is OWSLMCXIXLAZBP-GMBBYQRISA-N. The full InChI is InChI=1S/C16H26NO5PS/c1-16(2,3)24(22)17-14(9-10-15(18)19)23(20,21)12-11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3,(H,18,19)(H,20,21)/t14-,24?/m1/s1.
What are the key properties of (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid?
(4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid has a molecular weight of 375.43 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid is sourced from PubChem (CID 166771339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).