(3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

C11H19NO4 — CID 129379678

IUPAC(3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
SMILESC[C@@H]1C[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-7-5-8(9(13)14)6-12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m1/s1
InChIKeyWZZGWPOKJCVJGU-HTQZYQBOSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds1

About (3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

(3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 129379678) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID129379678
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
SMILESC[C@@H]1C[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-7-5-8(9(13)14)6-12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m1/s1
InChIKeyWZZGWPOKJCVJGU-HTQZYQBOSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-(1-BOC-2-pyrrolidinyl)acetic acid
CID 688605
(3R)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid
CID 1512491
(3S)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid
CID 1512492
1-((Tert-butoxy)carbonyl)pyrrolidine-3-carboxylic acid
CID 2760529
2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}acetic acid
CID 4018357
2-((2R)-1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)acetic acid
CID 688606
(S)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)acetic acid
CID 1502098
(R)-3-Carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 1502099
1-Boc-pyrrolidine-3-acetic acid
CID 4343771
1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 23079912
2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}propanoic acid
CID 23091729
(3R,4R)-1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 45073885

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (CID 129379678) is (3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is C[C@@H]1C[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of (3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WZZGWPOKJCVJGU-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7-5-8(9(13)14)6-12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of (3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
(3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129379678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).