(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid

C14H25NO5 — CID 125425167

IUPAC(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H25NO5/c1-9(2)14(11(16)17)7-10(19-6)8-15(14)12(18)20-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,16,17)/t10-,14-/m1/s1
InChIKeyFDKDATNKLWZWCN-QMTHXVAHSA-N
MW287.36 g/mol
LogP2.12
Rot. Bonds3

About (2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid

(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 125425167) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID125425167
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H25NO5/c1-9(2)14(11(16)17)7-10(19-6)8-15(14)12(18)20-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,16,17)/t10-,14-/m1/s1
InChIKeyFDKDATNKLWZWCN-QMTHXVAHSA-N
XLogP2.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid
CID 125425168
(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid
CID 125425165
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxy-2-methylpyrrolidine-1-carboxylate
CID 125448936
(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yloxypyrrolidine-2-carboxylic acid
CID 125425253
(2S,4R)-4-aminooxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90726788
(2R,4S)-4-ethoxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 125425287
(1S,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 90453386
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-nitrooxypyrrolidine-2-carboxylic acid
CID 91209157
4-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22324599
4-(methoxymethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 123649695
(2R,4R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enoxypyrrolidine-2-carboxylic acid
CID 66593351
(3S,5S)-5-(methoxymethyl)-5-(3-methylbutyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 11461647

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid (CID 125425167) is (2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid is CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C(=O)O)(C(C)C)C1.
What is the InChIKey of (2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is FDKDATNKLWZWCN-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H25NO5/c1-9(2)14(11(16)17)7-10(19-6)8-15(14)12(18)20-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,16,17)/t10-,14-/m1/s1.
What are the key properties of (2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid?
(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 125425167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).