1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid

C16H30N2O6Si — CID 132593985

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid
SMILESCN(C(=O)OCC[Si](C)(C)C)C1(C(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O6Si/c1-15(2,3)24-14(22)18-10-16(11-18,12(19)20)17(4)13(21)23-8-9-25(5,6)7/h8-11H2,1-7H3,(H,19,20)
InChIKeyYSVPDVMWGNSBDR-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.47
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid (PubChem CID 132593985) has the molecular formula C16H30N2O6Si and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid
PubChem CID132593985
Molecular FormulaC16H30N2O6Si
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid
SMILESCN(C(=O)OCC[Si](C)(C)C)C1(C(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O6Si/c1-15(2,3)24-14(22)18-10-16(11-18,12(19)20)17(4)13(21)23-8-9-25(5,6)7/h8-11H2,1-7H3,(H,19,20)
InChIKeyYSVPDVMWGNSBDR-UHFFFAOYSA-N
XLogP2.47
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid with MolForge

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Related Compounds

(5S)-5-fluoro-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-7-azaspiro[3.4]octane-5-carboxylic acid
CID 124710201
3-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 165495259
6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid
CID 155895331
tert-butyl 3-amino-3-(aminomethyl)azetidine-1-carboxylate
CID 135393346
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate
CID 162509759
3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid
CID 132594141
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
2-[3-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107140750
3-[9H-fluoren-9-ylmethoxycarbonyl(oxepan-4-yl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 165469806
3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid
CID 132594145

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid (CID 132593985) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid is CN(C(=O)OCC[Si](C)(C)C)C1(C(=O)O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid?
The InChIKey is YSVPDVMWGNSBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6Si/c1-15(2,3)24-14(22)18-10-16(11-18,12(19)20)17(4)13(21)23-8-9-25(5,6)7/h8-11H2,1-7H3,(H,19,20).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid has a molecular weight of 374.51 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid is sourced from PubChem (CID 132593985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).