tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate

C10H22N2O4S — CID 59913383

IUPACtert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate
SMILESCCCS(=O)(=O)N[C@H](CN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-6-17(14,15)12-8(7-11)9(13)16-10(2,3)4/h8,12H,5-7,11H2,1-4H3/t8-/m1/s1
InChIKeyBPOGKMHDWVSYBA-MRVPVSSYSA-N
MW266.36 g/mol
LogP-0.02
Rot. Bonds6

About tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate

tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate (PubChem CID 59913383) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate
PubChem CID59913383
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Nametert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate
SMILESCCCS(=O)(=O)N[C@H](CN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-6-17(14,15)12-8(7-11)9(13)16-10(2,3)4/h8,12H,5-7,11H2,1-4H3/t8-/m1/s1
InChIKeyBPOGKMHDWVSYBA-MRVPVSSYSA-N
XLogP-0.02
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate 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

methyl 3-amino-2-(butylsulfonylamino)propanoate
CID 19066399
methyl (2S)-3-amino-2-(butylsulfonylamino)propanoate
CID 10752421
tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate
CID 81002609
(2S)-2-(butylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18654134
2-(butylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10520024
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
tert-butyl (2R)-2-hydrazinylbutanoate
CID 140972061
tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate
CID 103773483
tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate
CID 86641981
tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
tert-butyl 3-amino-2-[[3-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 87968324
tert-butyl 2-acetamidobutanoate
CID 14390034

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate?
The IUPAC name of tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate (CID 59913383) is tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate is CCCS(=O)(=O)N[C@H](CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate?
The InChIKey is BPOGKMHDWVSYBA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-6-17(14,15)12-8(7-11)9(13)16-10(2,3)4/h8,12H,5-7,11H2,1-4H3/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate?
tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate has a molecular weight of 266.36 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate is sourced from PubChem (CID 59913383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).