(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid

C9H15NO4Se — CID 132519332

IUPAC(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[Se]C[C@H]1C(=O)O
InChIInChI=1S/C9H15NO4Se/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKeyYRHWWDSHCVNZAH-LURJTMIESA-N
MW280.18 g/mol
LogP0.77
Rot. Bonds1

About (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid

(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid (PubChem CID 132519332) has the molecular formula C9H15NO4Se and a molecular weight of 280.18 g/mol. Its IUPAC name is (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid
PubChem CID132519332
Molecular FormulaC9H15NO4Se
Molecular Weight280.18 g/mol
Exact Mass281.02
IUPAC Name(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[Se]C[C@H]1C(=O)O
InChIInChI=1S/C9H15NO4Se/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKeyYRHWWDSHCVNZAH-LURJTMIESA-N
XLogP0.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 7009590
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889
2-{[(Tert-butoxy)carbonyl](propyl)amino}propanoic acid
CID 64145887
1-[(Tert-butoxy)carbonyl]-3,3-dimethyl-1,3-azasilolidine-5-carboxylic acid
CID 68794123
(R)-1-(tert-butoxycarbonyl)-3,3-dimethyl-1,3-azasilolidine-5-carboxylic acid
CID 10825193
t-Butyloxycarbonyl (boc)-alanine
CID 11231566
(4S)-N-tert-butoxycarbonyl-4-methyl-5-oxazolidinone
CID 12084899
N-Boc cyanoalanine
CID 71431195
N-(tert-Butoxycarbonyl)-3-fluoro-N-methyl-L-alanine
CID 15941024
N-(tert-Butoxycarbonyl)-N-methyl-D-alanine
CID 16211306
N-(tert-Butoxycarbonyl)-3-fluoro-N-methyl-D-alanine
CID 71427327

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid (CID 132519332) is (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid is CC(C)(C)OC(=O)N1C[Se]C[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid?
The InChIKey is YRHWWDSHCVNZAH-LURJTMIESA-N. The full InChI is InChI=1S/C9H15NO4Se/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid?
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid has a molecular weight of 280.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-selenazolidine-4-carboxylic acid is sourced from PubChem (CID 132519332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).