(2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide

C12H24N2O — CID 69170170

IUPAC(2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@@]1(C)C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)12(5)7-6-8-14(12)11(15)13-10(3)4/h9-10H,6-8H2,1-5H3,(H,13,15)/t12-/m0/s1
InChIKeyQPKZTJTZHZDWGZ-LBPRGKRZSA-N
MW212.34 g/mol
LogP2.61
Rot. Bonds2

About (2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide

(2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 69170170) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide
PubChem CID69170170
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@@]1(C)C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)12(5)7-6-8-14(12)11(15)13-10(3)4/h9-10H,6-8H2,1-5H3,(H,13,15)/t12-/m0/s1
InChIKeyQPKZTJTZHZDWGZ-LBPRGKRZSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide (CID 69170170) is (2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCC[C@@]1(C)C(C)C.
What is the InChIKey of (2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is QPKZTJTZHZDWGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)12(5)7-6-8-14(12)11(15)13-10(3)4/h9-10H,6-8H2,1-5H3,(H,13,15)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide?
(2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 69170170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).