(2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C12H19F2NO4 — CID 138479096

IUPAC(2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(F)F)C[C@]1(C)C(=O)O
InChIInChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-6-7(8(13)14)5-12(15,4)9(16)17/h7-8H,5-6H2,1-4H3,(H,16,17)/t7?,12-/m1/s1
InChIKeyOONZVHGGLPGKJK-RKSKCOGQSA-N
MW279.28 g/mol
LogP2.35
Rot. Bonds2

About (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 138479096) has the molecular formula C12H19F2NO4 and a molecular weight of 279.28 g/mol. Its IUPAC name is (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID138479096
Molecular FormulaC12H19F2NO4
Molecular Weight279.28 g/mol
Exact Mass279.13
IUPAC Name(2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(F)F)C[C@]1(C)C(=O)O
InChIInChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-6-7(8(13)14)5-12(15,4)9(16)17/h7-8H,5-6H2,1-4H3,(H,16,17)/t7?,12-/m1/s1
InChIKeyOONZVHGGLPGKJK-RKSKCOGQSA-N
XLogP2.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
CID 85083
(2S,4S)-1-((tert-butoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid
CID 2756017
1-[(Tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 268472
N-Boc-4,4-difluoro-L-proline methyl ester
CID 11129200
(2R)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 688022
(2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 11206950
(2S,4S)-1-[(tert-butoxy)carbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 11426084
(R)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 41097301
(2S,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 12043048
2-(Tert-butoxycarbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 12127697
1-tert-Butyl 2-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 59436426
(2S,3S)-1-((tert-butoxy)carbonyl)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 96134000

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 138479096) is (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CC(C(F)F)C[C@]1(C)C(=O)O.
What is the InChIKey of (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OONZVHGGLPGKJK-RKSKCOGQSA-N. The full InChI is InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-6-7(8(13)14)5-12(15,4)9(16)17/h7-8H,5-6H2,1-4H3,(H,16,17)/t7?,12-/m1/s1.
What are the key properties of (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
(2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 279.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(difluoromethyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 138479096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).