trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate

C16H31NO4Si — CID 86601847

IUPACtrans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate
SMILESCC[C@H]1C[C@@]1(NC(=O)OCC[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO4Si/c1-8-12-11-16(12,13(18)21-15(2,3)4)17-14(19)20-9-10-22(5,6)7/h12H,8-11H2,1-7H3,(H,17,19)/t12-,16-/m0/s1
InChIKeyDMPRLQGGRJZPDN-LRDDRELGSA-N
MW329.51 g/mol
LogP3.56
Rot. Bonds6

About trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate

trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate (PubChem CID 86601847) has the molecular formula C16H31NO4Si and a molecular weight of 329.51 g/mol. Its IUPAC name is trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate
PubChem CID86601847
Molecular FormulaC16H31NO4Si
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC Nametrans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate
SMILESCC[C@H]1C[C@@]1(NC(=O)OCC[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO4Si/c1-8-12-11-16(12,13(18)21-15(2,3)4)17-14(19)20-9-10-22(5,6)7/h12H,8-11H2,1-7H3,(H,17,19)/t12-,16-/m0/s1
InChIKeyDMPRLQGGRJZPDN-LRDDRELGSA-N
XLogP3.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate 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

2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate
CID 91114620
methyl (1S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 59963702
tert-butyl (1S)-2-ethyl-1-[[(4R)-1-methyl-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;tert-butyl 2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate;cis-tert-butyl (1R,2S)-2-ethyl-1-[[(4R)-1-methyl-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;methane
CID 161296588
2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;methyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 158428152
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
trans-benzyl (1S,2S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 11023608
cis-methyl (1S,2R)-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 10988547
tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate
CID 130004224
tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
CID 130004007
methyl (1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-oxoethyl)cyclopropane-1-carboxylate
CID 89165047
methyl 2-[bromo(tritio)methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 10892268
cis-methyl (1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylsulfonyloxyethyl)cyclopropane-1-carboxylate
CID 44517098

Frequently Asked Questions

What is the IUPAC name of trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate?
The IUPAC name of trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate (CID 86601847) is trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate?
The canonical SMILES for trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate is CC[C@H]1C[C@@]1(NC(=O)OCC[Si](C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate?
The InChIKey is DMPRLQGGRJZPDN-LRDDRELGSA-N. The full InChI is InChI=1S/C16H31NO4Si/c1-8-12-11-16(12,13(18)21-15(2,3)4)17-14(19)20-9-10-22(5,6)7/h12H,8-11H2,1-7H3,(H,17,19)/t12-,16-/m0/s1.
What are the key properties of trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate?
trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate has a molecular weight of 329.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 86601847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).