(2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide

C14H26N2O3 — CID 95970521

IUPAC(2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide
SMILESCO[C@]1(C)C[C@H](NC(=O)N2CCC[C@@H]2CO)C1(C)C
InChIInChI=1S/C14H26N2O3/c1-13(2)11(8-14(13,3)19-4)15-12(18)16-7-5-6-10(16)9-17/h10-11,17H,5-9H2,1-4H3,(H,15,18)/t10-,11+,14-/m1/s1
InChIKeyYPTTWMCTGCPOKC-UHIISALHSA-N
MW270.37 g/mol
LogP1.36
Rot. Bonds3

About (2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide (PubChem CID 95970521) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide
PubChem CID95970521
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide
SMILESCO[C@]1(C)C[C@H](NC(=O)N2CCC[C@@H]2CO)C1(C)C
InChIInChI=1S/C14H26N2O3/c1-13(2)11(8-14(13,3)19-4)15-12(18)16-7-5-6-10(16)9-17/h10-11,17H,5-9H2,1-4H3,(H,15,18)/t10-,11+,14-/m1/s1
InChIKeyYPTTWMCTGCPOKC-UHIISALHSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide (CID 95970521) is (2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide is CO[C@]1(C)C[C@H](NC(=O)N2CCC[C@@H]2CO)C1(C)C.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide?
The InChIKey is YPTTWMCTGCPOKC-UHIISALHSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2)11(8-14(13,3)19-4)15-12(18)16-7-5-6-10(16)9-17/h10-11,17H,5-9H2,1-4H3,(H,15,18)/t10-,11+,14-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95970521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).