methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate

C13H24N2O2 — CID 117269861

IUPACmethyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(C2CCN(C(C)C)C2)CN1
InChIInChI=1S/C13H24N2O2/c1-9(2)15-5-4-10(8-15)11-6-12(14-7-11)13(16)17-3/h9-12,14H,4-8H2,1-3H3
InChIKeyPSLNSIXHRNCUCP-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds3

About methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate

methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate (PubChem CID 117269861) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate
PubChem CID117269861
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(C2CCN(C(C)C)C2)CN1
InChIInChI=1S/C13H24N2O2/c1-9(2)15-5-4-10(8-15)11-6-12(14-7-11)13(16)17-3/h9-12,14H,4-8H2,1-3H3
InChIKeyPSLNSIXHRNCUCP-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
CID 178103396
methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate
CID 163224942
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl (2S)-4-(3-methylbutyl)pyrrolidine-2-carboxylate
CID 143708498
4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 117269914
(1R,6R)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176597082
methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate
CID 112710580
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate
CID 14036227
methyl 4-cyclopropylpiperidine-2-carboxylate
CID 117258400

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate (CID 117269861) is methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate is COC(=O)C1CC(C2CCN(C(C)C)C2)CN1.
What is the InChIKey of methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate?
The InChIKey is PSLNSIXHRNCUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)15-5-4-10(8-15)11-6-12(14-7-11)13(16)17-3/h9-12,14H,4-8H2,1-3H3.
What are the key properties of methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate?
methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 117269861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).