(3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide

C10H20N2O2 — CID 164643446

IUPAC(3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide
SMILESCO[C@H]1CCN(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)11-9(13)12-6-5-8(7-12)14-4/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyPSWFAPITIZMGSI-QMMMGPOBSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds1

About (3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide

(3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide (PubChem CID 164643446) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide
PubChem CID164643446
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide
SMILESCO[C@H]1CCN(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)11-9(13)12-6-5-8(7-12)14-4/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyPSWFAPITIZMGSI-QMMMGPOBSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide (CID 164643446) is (3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide is CO[C@H]1CCN(C(=O)NC(C)(C)C)C1.
What is the InChIKey of (3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide?
The InChIKey is PSWFAPITIZMGSI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)11-9(13)12-6-5-8(7-12)14-4/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1.
What are the key properties of (3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide?
(3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 164643446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).