ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate

C29H43NO3Si — CID 59556954

IUPACethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C29H43NO3Si/c1-8-32-27(31)29(19-20-29)26(33-34(6,7)28(3,4)5)23(2)30(21-24-15-11-9-12-16-24)22-25-17-13-10-14-18-25/h9-18,23,26H,8,19-22H2,1-7H3/t23-,26+/m0/s1
InChIKeyBHZITGUYXDESIE-JYFHCDHNSA-N
MW481.75 g/mol
LogP6.81
Rot. Bonds11

About ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate

ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate (PubChem CID 59556954) has the molecular formula C29H43NO3Si and a molecular weight of 481.75 g/mol. Its IUPAC name is ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate
PubChem CID59556954
Molecular FormulaC29H43NO3Si
Molecular Weight481.75 g/mol
Exact Mass481.30
IUPAC Nameethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C29H43NO3Si/c1-8-32-27(31)29(19-20-29)26(33-34(6,7)28(3,4)5)23(2)30(21-24-15-11-9-12-16-24)22-25-17-13-10-14-18-25/h9-18,23,26H,8,19-22H2,1-7H3/t23-,26+/m0/s1
InChIKeyBHZITGUYXDESIE-JYFHCDHNSA-N
XLogP6.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.75
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

N,N-Dibenzyl-O-(t-butyldimethylsilyl)-L-serine methyl ester
CID 11350497
methyl (3R,4S)-4-(dibenzylamino)-3-hydroxypentanoate
CID 13949676
ethyl (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)-2,2-difluoro-3-hydroxypentanoate
CID 173732998
(3R)-3-[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolan-2-one
CID 11785238
methyl (3S,4S)-4-(dibenzylamino)-3-hydroxypentanoate
CID 13949674
methyl (3R,4S)-4-(dibenzylamino)-3-hydroxy-2,2-dimethylpentanoate
CID 13949678
[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-phenylethyl]piperidin-2-yl]methyl acetate
CID 46845310
methyl (2S,3S,4S)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-4-(dibenzylamino)pentanoate
CID 134863630
methyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-2,2-dimethylpentanoate
CID 134934692
[(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentan-3-yl] 4-oxopentanoate
CID 139093516
methyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[methyl-[(1R)-1-phenylethyl]amino]-5-phenylpentanoate
CID 178339821
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanoate
CID 4077520

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate (CID 59556954) is ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate is CCOC(=O)C1([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate?
The InChIKey is BHZITGUYXDESIE-JYFHCDHNSA-N. The full InChI is InChI=1S/C29H43NO3Si/c1-8-32-27(31)29(19-20-29)26(33-34(6,7)28(3,4)5)23(2)30(21-24-15-11-9-12-16-24)22-25-17-13-10-14-18-25/h9-18,23,26H,8,19-22H2,1-7H3/t23-,26+/m0/s1.
What are the key properties of ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate?
ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate has a molecular weight of 481.75 g/mol, XLogP of 6.81, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 59556954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).