methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen

C10H20N2O3 — CID 169160570

IUPACmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
SMILESCOC(=O)N1CCCC1C(=O)NC(C)C.[H][H]
InChIInChI=1S/C10H18N2O3.H2/c1-7(2)11-9(13)8-5-4-6-12(8)10(14)15-3;/h7-8H,4-6H2,1-3H3,(H,11,13);1H
InChIKeySFXWFUAXGHUBMH-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.99
Rot. Bonds2

About methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen

methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen (PubChem CID 169160570) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namemethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
PubChem CID169160570
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
SMILESCOC(=O)N1CCCC1C(=O)NC(C)C.[H][H]
InChIInChI=1S/C10H18N2O3.H2/c1-7(2)11-9(13)8-5-4-6-12(8)10(14)15-3;/h7-8H,4-6H2,1-3H3,(H,11,13);1H
InChIKeySFXWFUAXGHUBMH-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen?
The IUPAC name of methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen (CID 169160570) is methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen.
What is the SMILES notation for methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen?
The canonical SMILES for methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen is COC(=O)N1CCCC1C(=O)NC(C)C.[H][H].
What is the InChIKey of methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen?
The InChIKey is SFXWFUAXGHUBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.H2/c1-7(2)11-9(13)8-5-4-6-12(8)10(14)15-3;/h7-8H,4-6H2,1-3H3,(H,11,13);1H.
What are the key properties of methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen?
methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen has a molecular weight of 216.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 169160570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).