tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate

C10H17N3O4S — CID 81005469

IUPACtert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate
SMILESC[C@@H](NS(=O)(=O)c1cnc[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17N3O4S/c1-7(9(14)17-10(2,3)4)13-18(15,16)8-5-11-6-12-8/h5-7,13H,1-4H3,(H,11,12)/t7-/m1/s1
InChIKeyQSGHOZMZNGMDPV-SSDOTTSWSA-N
MW275.33 g/mol
LogP0.42
Rot. Bonds4

About tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate

tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate (PubChem CID 81005469) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate
PubChem CID81005469
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Nametert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate
SMILESC[C@@H](NS(=O)(=O)c1cnc[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17N3O4S/c1-7(9(14)17-10(2,3)4)13-18(15,16)8-5-11-6-12-8/h5-7,13H,1-4H3,(H,11,12)/t7-/m1/s1
InChIKeyQSGHOZMZNGMDPV-SSDOTTSWSA-N
XLogP0.42
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)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

N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
CID 64994110
tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate
CID 81005814
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 113239207
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-imidazole-5-sulfonamide
CID 112692305
N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
N-(1-methoxy-2-methylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 115640418
methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 149222122
N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
CID 106181220
2-(1H-imidazol-5-ylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786144
tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate
CID 80998367
N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106153872
tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate
CID 81005555

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate (CID 81005469) is tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate is C[C@@H](NS(=O)(=O)c1cnc[nH]1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate?
The InChIKey is QSGHOZMZNGMDPV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7(9(14)17-10(2,3)4)13-18(15,16)8-5-11-6-12-8/h5-7,13H,1-4H3,(H,11,12)/t7-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate?
tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate has a molecular weight of 275.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate is sourced from PubChem (CID 81005469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).