(2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid

C9H17NO3 — CID 89393310

IUPAC(2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)ON1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-10-6-4-5-7(10)8(11)12/h7H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyHVACZXUFVTUOMS-ZETCQYMHSA-N
MW187.24 g/mol
LogP1.27
Rot. Bonds2

About (2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid

(2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid (PubChem CID 89393310) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
PubChem CID89393310
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)ON1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-10-6-4-5-7(10)8(11)12/h7H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyHVACZXUFVTUOMS-ZETCQYMHSA-N
XLogP1.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethoxy)pyrrolidine-2-carboxylic acid
CID 170165836
(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
CID 54187811
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
butane;ethane;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 145080394
(2S)-1-[(2R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 124604992
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
(E)-1-[(2-methylpropan-2-yl)oxy]but-1-ene;1-methylpyrrolidine-2-carboxylic acid
CID 144897436
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid (CID 89393310) is (2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid is CC(C)(C)ON1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
The InChIKey is HVACZXUFVTUOMS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-10-6-4-5-7(10)8(11)12/h7H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 89393310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).