(2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid

C12H19NO4 — CID 141105885

IUPAC(2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](CCC2CCC2)CN1C(=O)O
InChIInChI=1S/C12H19NO4/c14-11(15)10-6-9(7-13(10)12(16)17)5-4-8-2-1-3-8/h8-10H,1-7H2,(H,14,15)(H,16,17)/t9-,10+/m1/s1
InChIKeyCORZKANGHIHZLN-ZJUUUORDSA-N
MW241.29 g/mol
LogP2.02
Rot. Bonds4

About (2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid

(2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 141105885) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid
PubChem CID141105885
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](CCC2CCC2)CN1C(=O)O
InChIInChI=1S/C12H19NO4/c14-11(15)10-6-9(7-13(10)12(16)17)5-4-8-2-1-3-8/h8-10H,1-7H2,(H,14,15)(H,16,17)/t9-,10+/m1/s1
InChIKeyCORZKANGHIHZLN-ZJUUUORDSA-N
XLogP2.02
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexylmethyl)pyrrolidine-1,2-dicarboxylic acid
CID 90802821
1-(2-cyclobutylethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113364354
(2R,4R)-1-(2-cyclopentylethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000176
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63657175
piperidine-1,2,6-tricarboxylic acid
CID 22987898
(2S,4S)-1-(cyclopentylmethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713739
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid
CID 153347204

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid (CID 141105885) is (2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid is O=C(O)[C@@H]1C[C@@H](CCC2CCC2)CN1C(=O)O.
What is the InChIKey of (2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is CORZKANGHIHZLN-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(15)10-6-9(7-13(10)12(16)17)5-4-8-2-1-3-8/h8-10H,1-7H2,(H,14,15)(H,16,17)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid?
(2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 141105885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).