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

C71H107N5O12Si — CID 161296588

IUPACtert-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
SMILESC.CCC1CC1(NC(=O)OCC[Si](C)(C)C)C(=O)OC(C)(C)C.CCC1C[C@@]1(NC(=O)C1C[C@@H](OCc2cccc3ccccc23)CN1C)C(=O)OC(C)(C)C.CC[C@H]1C[C@]1(NC(=O)C1C[C@@H](OCc2cccc3ccccc23)CN1C)C(=O)OC(C)(C)C
InChIInChI=1S/2C27H36N2O4.C16H31NO4Si.CH4/c2*1-6-20-15-27(20,25(31)33-26(2,3)4)28-24(30)23-14-21(16-29(23)5)32-17-19-12-9-11-18-10-7-8-13-22(18)19;1-8-12-11-16(12,13(18)21-15(2,3)4)17-14(19)20-9-10-22(5,6)7;/h2*7-13,20-21,23H,6,14-17H2,1-5H3,(H,28,30);12H,8-11H2,1-7H3,(H,17,19);1H4/t20?,21-,23?,27+;20-,21+,23?,27+;;/m10../s1
InChIKeyVHBCJNSAVINNDS-OBVZIVCLSA-N
MW1250.75 g/mol
LogP12.31
Rot. Bonds20

About 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

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 (PubChem CID 161296588) has the molecular formula C71H107N5O12Si and a molecular weight of 1250.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID161296588
Molecular FormulaC71H107N5O12Si
Molecular Weight1250.75 g/mol
Exact Mass1249.77
IUPAC Nametert-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
SMILESC.CCC1CC1(NC(=O)OCC[Si](C)(C)C)C(=O)OC(C)(C)C.CCC1C[C@@]1(NC(=O)C1C[C@@H](OCc2cccc3ccccc23)CN1C)C(=O)OC(C)(C)C.CC[C@H]1C[C@]1(NC(=O)C1C[C@@H](OCc2cccc3ccccc23)CN1C)C(=O)OC(C)(C)C
InChIInChI=1S/2C27H36N2O4.C16H31NO4Si.CH4/c2*1-6-20-15-27(20,25(31)33-26(2,3)4)28-24(30)23-14-21(16-29(23)5)32-17-19-12-9-11-18-10-7-8-13-22(18)19;1-8-12-11-16(12,13(18)21-15(2,3)4)17-14(19)20-9-10-22(5,6)7;/h2*7-13,20-21,23H,6,14-17H2,1-5H3,(H,28,30);12H,8-11H2,1-7H3,(H,17,19);1H4/t20?,21-,23?,27+;20-,21+,23?,27+;;/m10../s1
InChIKeyVHBCJNSAVINNDS-OBVZIVCLSA-N
XLogP12.31
TPSA200.37 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001250.75
LogP ≤ 512.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

cis-tert-butyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-methyl-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate
CID 59974155
trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate
CID 86601847
prop-2-enyl 2-ethyl-1-[[1-ethyl-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate
CID 20743691
benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 161229305
cis-methyl (1R,2S)-1-[[(2S,4R)-1-[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-(quinolin-8-ylmethoxy)pyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate
CID 59963732
(2S)-1-[[(2S,4R)-1-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
CID 500639
trans-benzyl (1S,2S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 11023608
ethyl 1-[[(2S,4R)-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate
CID 118934741
trans-(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexylacetyl]amino]-3-methylbutanoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]-2-propylcyclopropane-1-carboxylic acid
CID 11319902
cis-(1S,2S)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-[(2-phenylphenyl)methoxy]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
CID 24969118
methyl (1S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 59963702
(1R)-2-ethyl-1-[[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 59907519

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CCC1CC1(NC(=O)OCC[Si](C)(C)C)C(=O)OC(C)(C)C.CCC1C[C@@]1(NC(=O)C1C[C@@H](OCc2cccc3ccccc23)CN1C)C(=O)OC(C)(C)C.CC[C@H]1C[C@]1(NC(=O)C1C[C@@H](OCc2cccc3ccccc23)CN1C)C(=O)OC(C)(C)C.
What is the InChIKey of 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?
The InChIKey is VHBCJNSAVINNDS-OBVZIVCLSA-N. The full InChI is InChI=1S/2C27H36N2O4.C16H31NO4Si.CH4/c2*1-6-20-15-27(20,25(31)33-26(2,3)4)28-24(30)23-14-21(16-29(23)5)32-17-19-12-9-11-18-10-7-8-13-22(18)19;1-8-12-11-16(12,13(18)21-15(2,3)4)17-14(19)20-9-10-22(5,6)7;/h2*7-13,20-21,23H,6,14-17H2,1-5H3,(H,28,30);12H,8-11H2,1-7H3,(H,17,19);1H4/t20?,21-,23?,27+;20-,21+,23?,27+;;/m10../s1.
What are the key properties of 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?
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 has a molecular weight of 1250.75 g/mol, XLogP of 12.31, 20 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161296588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).