propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C18H34N2O4 — CID 70317211

IUPACpropan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCOC[C@@H]1CC(C)(C)CN1C(=O)C(NC(=O)OC(C)C)C(C)(C)C
InChIInChI=1S/C18H34N2O4/c1-12(2)24-16(22)19-14(17(3,4)5)15(21)20-11-18(6,7)9-13(20)10-23-8/h12-14H,9-11H2,1-8H3,(H,19,22)/t13-,14?/m0/s1
InChIKeyRPZVIWCCHWJOKV-LSLKUGRBSA-N
MW342.48 g/mol
LogP2.81
Rot. Bonds5

About propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 70317211) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID70317211
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Namepropan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCOC[C@@H]1CC(C)(C)CN1C(=O)C(NC(=O)OC(C)C)C(C)(C)C
InChIInChI=1S/C18H34N2O4/c1-12(2)24-16(22)19-14(17(3,4)5)15(21)20-11-18(6,7)9-13(20)10-23-8/h12-14H,9-11H2,1-8H3,(H,19,22)/t13-,14?/m0/s1
InChIKeyRPZVIWCCHWJOKV-LSLKUGRBSA-N
XLogP2.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-[(2S)-1-[(2S)-2-[[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-5-methyl-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 11998527
propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
CID 58331813
methyl (3S,5R)-2-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-6,6-dimethyl-2-azaspiro[4.5]decane-3-carboxylate
CID 163920232
methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 134352209
(6S)-5-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 167481926
methyl 4-cyclopropyl-3-[[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-oxobutanoate
CID 58908841
hexan-2-yl N-[1-(2-carbamoylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 143786485
tert-butyl N-[(2S)-1-[(6S)-6-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-2,2-diethyl-5-azaspiro[2.4]heptan-5-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 118074839
(2S)-1-[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]-4-(oxetan-3-yl)pyrrolidine-2-carboxylic acid
CID 168976254
tert-butyl N-[(2S)-1-[(8S)-8-[[(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)amino]methyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 154557785
propan-2-yl N-[(2R)-1-[(1R)-2-[[(1R)-1-cyano-2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 170631839
3-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 21016453

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 70317211) is propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is COC[C@@H]1CC(C)(C)CN1C(=O)C(NC(=O)OC(C)C)C(C)(C)C.
What is the InChIKey of propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is RPZVIWCCHWJOKV-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-12(2)24-16(22)19-14(17(3,4)5)15(21)20-11-18(6,7)9-13(20)10-23-8/h12-14H,9-11H2,1-8H3,(H,19,22)/t13-,14?/m0/s1.
What are the key properties of propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 342.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 70317211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).