(2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid

C13H23NO5 — CID 172757257

IUPAC(2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC[C@H](C(=O)O)N1C(=O)OCCC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-13(2,3)7-8-19-12(17)14-9(11(15)16)5-6-10(14)18-4/h9-10H,5-8H2,1-4H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyLERIFEKMIBLXHZ-YHMJZVADSA-N
MW273.33 g/mol
LogP2.08
Rot. Bonds4

About (2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid

(2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid (PubChem CID 172757257) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid
PubChem CID172757257
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC[C@H](C(=O)O)N1C(=O)OCCC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-13(2,3)7-8-19-12(17)14-9(11(15)16)5-6-10(14)18-4/h9-10H,5-8H2,1-4H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyLERIFEKMIBLXHZ-YHMJZVADSA-N
XLogP2.08
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-1-(3,3-dimethylbutoxycarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 76850865
dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11053097
2-O-benzyl 1-O-tert-butyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11313662
2-O-benzyl 1-O-tert-butyl 5-methoxypyrrolidine-1,2-dicarboxylate
CID 66985482
3-chloro-1-(3,3-dimethylbutoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 66993248
(2S)-2-(3,3-dimethylbutoxycarbonyl)-5-oxopyrrolidine-1-carboxylic acid
CID 174589423
1-(3,3-dimethylbutoxycarbonyl)-3-methylidenepyrrolidine-2-carboxylic acid
CID 175851276
bis(3,3-dimethylbutyl) 3-oxopyrrolidine-1,2-dicarboxylate
CID 174207882
tert-butyl (2S)-2-(hydroxymethyl)-5-methoxypyrrolidine-1-carboxylate
CID 131033537
(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 57249393
(2S)-2-(3,3-dimethylbutoxycarbonyl)-4,4-dimethylpyrrolidine-1-carboxylic acid
CID 174574428
(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[4.2.0]octane-3-carboxylic acid
CID 89467354

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid (CID 172757257) is (2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid is COC1CC[C@H](C(=O)O)N1C(=O)OCCC(C)(C)C.
What is the InChIKey of (2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is LERIFEKMIBLXHZ-YHMJZVADSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2,3)7-8-19-12(17)14-9(11(15)16)5-6-10(14)18-4/h9-10H,5-8H2,1-4H3,(H,15,16)/t9-,10?/m1/s1.
What are the key properties of (2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid?
(2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,3-dimethylbutoxycarbonyl)-5-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 172757257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).