(2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid

C16H16N2O3SSe — CID 18604983

IUPAC(2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid
SMILESN[C@@H](CS[Se]c1ccccc1C(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C16H16N2O3SSe/c17-13(16(20)21)10-22-23-14-9-5-4-8-12(14)15(19)18-11-6-2-1-3-7-11/h1-9,13H,10,17H2,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyDRBNAVSHXVOSJT-ZDUSSCGKSA-N
MW395.34 g/mol
LogP1.33
Rot. Bonds7

About (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid

(2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid (PubChem CID 18604983) has the molecular formula C16H16N2O3SSe and a molecular weight of 395.34 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid
PubChem CID18604983
Molecular FormulaC16H16N2O3SSe
Molecular Weight395.34 g/mol
Exact Mass396.00
IUPAC Name(2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid
SMILESN[C@@H](CS[Se]c1ccccc1C(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C16H16N2O3SSe/c17-13(16(20)21)10-22-23-14-9-5-4-8-12(14)15(19)18-11-6-2-1-3-7-11/h1-9,13H,10,17H2,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyDRBNAVSHXVOSJT-ZDUSSCGKSA-N
XLogP1.33
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic 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

ethyl (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoate;hydrochloride
CID 53239430
methyl (2S)-2-amino-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylbutanoate
CID 18604982
4-[[2-[(1S)-1-amino-1-carboxy-2-methylpropan-2-yl]sulfanylselanylbenzoyl]amino]benzoic acid
CID 18604970
N-phenyl-2-[2-(phenylcarbamoyl)phenyl]selanyloxyselanylbenzamide
CID 139266638
trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
CID 102451163
2-hydroperoxyselanyl-N-phenylbenzamide
CID 101103124
2-hydrazinyl-N-phenylbenzamide
CID 12569370
(2R)-2-amino-3-(3-anilino-3-oxopropyl)sulfanylpropanoic acid
CID 61142275
2-hydroxy-N-phenylbenzamide
CID 157209959
2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
2-(hydroxymethyl)-N-phenylbenzamide
CID 14198283

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid (CID 18604983) is (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid is N[C@@H](CS[Se]c1ccccc1C(=O)Nc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid?
The InChIKey is DRBNAVSHXVOSJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N2O3SSe/c17-13(16(20)21)10-22-23-14-9-5-4-8-12(14)15(19)18-11-6-2-1-3-7-11/h1-9,13H,10,17H2,(H,18,19)(H,20,21)/t13-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid?
(2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid has a molecular weight of 395.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid is sourced from PubChem (CID 18604983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).