(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid

C11H17NO5 — CID 51064128

IUPAC(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@@]1(C)C(=O)O
InChIInChI=1S/C11H17NO5/c1-10(2,3)17-9(16)12-7(13)5-6-11(12,4)8(14)15/h5-6H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyDWRIQGQCPRJSCI-NSHDSACASA-N
MW243.26 g/mol
LogP1.39
Rot. Bonds1

About (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid

(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 51064128) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID51064128
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@@]1(C)C(=O)O
InChIInChI=1S/C11H17NO5/c1-10(2,3)17-9(16)12-7(13)5-6-11(12,4)8(14)15/h5-6H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyDWRIQGQCPRJSCI-NSHDSACASA-N
XLogP1.39
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 11206950
1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester, (2S)-
CID 104412
(R)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 41097301
1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 4198035
(R)-Boc-5-oxopyrrolidine-2-carboxylic acid
CID 18645552
1,2-Di-tert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 66982058
1-O-tert-butyl 2-O-methyl 2-fluoro-5-oxopyrrolidine-1,2-dicarboxylate
CID 153732863
1-(Tert-butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid
CID 12883984
1-O-tert-butyl 2-O-methyl (2R)-2-(hydroxymethyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 44603893
ditert-butyl (2S,3S)-2,3-dimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 91565837
1-O-tert-butyl 2-O-methyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 134831942
4-Methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 19688093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid (CID 51064128) is (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1C(=O)CC[C@@]1(C)C(=O)O.
What is the InChIKey of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is DWRIQGQCPRJSCI-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO5/c1-10(2,3)17-9(16)12-7(13)5-6-11(12,4)8(14)15/h5-6H2,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 51064128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).