3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid

C13H26N2O4Si — CID 132594141

IUPAC3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid
SMILESCCCNC1(C(=O)O)CN(C(=O)OCC[Si](C)(C)C)C1
InChIInChI=1S/C13H26N2O4Si/c1-5-6-14-13(11(16)17)9-15(10-13)12(18)19-7-8-20(2,3)4/h14H,5-10H2,1-4H3,(H,16,17)
InChIKeySMVFBSUAMSVCDP-UHFFFAOYSA-N
MW302.45 g/mol
LogP1.60
Rot. Bonds7

About 3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid

3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid (PubChem CID 132594141) has the molecular formula C13H26N2O4Si and a molecular weight of 302.45 g/mol. Its IUPAC name is 3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid
PubChem CID132594141
Molecular FormulaC13H26N2O4Si
Molecular Weight302.45 g/mol
Exact Mass302.17
IUPAC Name3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid
SMILESCCCNC1(C(=O)O)CN(C(=O)OCC[Si](C)(C)C)C1
InChIInChI=1S/C13H26N2O4Si/c1-5-6-14-13(11(16)17)9-15(10-13)12(18)19-7-8-20(2,3)4/h14H,5-10H2,1-4H3,(H,16,17)
InChIKeySMVFBSUAMSVCDP-UHFFFAOYSA-N
XLogP1.60
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid
CID 132594145
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
(2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 91462147
2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate
CID 91377049
2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate
CID 22238408
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]azetidine-3-carboxylic acid
CID 132593985
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
CID 43754005
3-[(4-methoxyphenyl)methylamino]-1-prop-2-enoxycarbonylazetidine-3-carboxylic acid
CID 132594110
1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid
CID 62976763
tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate
CID 79307958
3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 64752076

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid (CID 132594141) is 3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid is CCCNC1(C(=O)O)CN(C(=O)OCC[Si](C)(C)C)C1.
What is the InChIKey of 3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid?
The InChIKey is SMVFBSUAMSVCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4Si/c1-5-6-14-13(11(16)17)9-15(10-13)12(18)19-7-8-20(2,3)4/h14H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid?
3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid has a molecular weight of 302.45 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 132594141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).