cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate

C19H29NO4Si — CID 101270664

IUPACcis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(NC(C)=O)C[C@@H]1c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H29NO4Si/c1-13(21)20-19(17(22)23-5)12-16(19)14-9-8-10-15(11-14)24-25(6,7)18(2,3)4/h8-11,16H,12H2,1-7H3,(H,20,21)/t16-,19-/m1/s1
InChIKeyIGXYTZZCVNMVKE-VQIMIIECSA-N
MW363.53 g/mol
LogP3.61
Rot. Bonds5

About cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate

cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate (PubChem CID 101270664) has the molecular formula C19H29NO4Si and a molecular weight of 363.53 g/mol. Its IUPAC name is cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate
PubChem CID101270664
Molecular FormulaC19H29NO4Si
Molecular Weight363.53 g/mol
Exact Mass363.19
IUPAC Namecis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(NC(C)=O)C[C@@H]1c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H29NO4Si/c1-13(21)20-19(17(22)23-5)12-16(19)14-9-8-10-15(11-14)24-25(6,7)18(2,3)4/h8-11,16H,12H2,1-7H3,(H,20,21)/t16-,19-/m1/s1
InChIKeyIGXYTZZCVNMVKE-VQIMIIECSA-N
XLogP3.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-phenylcyclopropane-1-carboxylic acid;methyl 1-acetamido-2-phenylcyclopropane-1-carboxylate
CID 167649996
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
methyl 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methoxy-1,2-dioxaspiro[3.3]heptane-6-carboxylate
CID 175617571
trans-methyl (1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10946226
tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane
CID 11358363
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
[(2R,3S,4R,5S)-3-acetyloxy-6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydroxyoxan-2-yl]methyl acetate
CID 86697588
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate
CID 59524403
cis-methyl (1S,2S)-2-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 93047912
6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
CID 91497145
[(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate
CID 175730716

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate (CID 101270664) is cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate is COC(=O)[C@@]1(NC(C)=O)C[C@@H]1c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate?
The InChIKey is IGXYTZZCVNMVKE-VQIMIIECSA-N. The full InChI is InChI=1S/C19H29NO4Si/c1-13(21)20-19(17(22)23-5)12-16(19)14-9-8-10-15(11-14)24-25(6,7)18(2,3)4/h8-11,16H,12H2,1-7H3,(H,20,21)/t16-,19-/m1/s1.
What are the key properties of cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate?
cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate has a molecular weight of 363.53 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2R)-1-acetamido-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 101270664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).