cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate

C17H24O2 — CID 169232126

IUPACcis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H]1CCCc1ccccc1
InChIInChI=1S/C17H24O2/c1-17(2,3)19-16(18)15-12-14(15)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyFDSOUBYOLONVJQ-GJZGRUSLSA-N
MW260.38 g/mol
LogP3.99
Rot. Bonds5

About cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate

cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate (PubChem CID 169232126) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate
PubChem CID169232126
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Namecis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H]1CCCc1ccccc1
InChIInChI=1S/C17H24O2/c1-17(2,3)19-16(18)15-12-14(15)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyFDSOUBYOLONVJQ-GJZGRUSLSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
tert-butyl 2-(4-chlorobutyl)cyclopropane-1-carboxylate
CID 139889580
tert-butyl 2-[(3S)-3-(dibenzylamino)-4-oxo-4-phenylmethoxybutyl]cyclopropane-1-carboxylate
CID 101498028
cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 163289447
tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol
CID 142258750
1-O-tert-butyl 2-O-methyl (2S,4R,5S)-4-(3-phenylpropyl)-5-[(Z)-prop-1-enyl]pyrrolidine-1,2-dicarboxylate
CID 11143566
tert-butyl (1S,5R)-6-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 70142250
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
tert-butyl N-[(1S,2S)-2-(2-phenylethyl)cyclopropyl]carbamate
CID 178006436
tert-butyl 2-[[3-(methylamino)phenyl]methyl]cyclopropane-1-carboxylate
CID 67562931
tert-butyl 2-ethylcyclopropane-1-carboxylate
CID 58558860
tert-butyl 3-phenylpropyl carbonate
CID 24789021

Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate (CID 169232126) is cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)[C@H]1C[C@@H]1CCCc1ccccc1.
What is the InChIKey of cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate?
The InChIKey is FDSOUBYOLONVJQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24O2/c1-17(2,3)19-16(18)15-12-14(15)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate?
cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate has a molecular weight of 260.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 169232126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).