(2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid

C11H16N2O5 — CID 153347204

IUPAC(2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](C(=O)N2CCCC2)CN1C(=O)O
InChIInChI=1S/C11H16N2O5/c14-9(12-3-1-2-4-12)7-5-8(10(15)16)13(6-7)11(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)/t7-,8-/m1/s1
InChIKeyYQFRWCBSEJDCSU-HTQZYQBOSA-N
MW256.26 g/mol
LogP0.06
Rot. Bonds2

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

(2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 153347204) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid
PubChem CID153347204
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](C(=O)N2CCCC2)CN1C(=O)O
InChIInChI=1S/C11H16N2O5/c14-9(12-3-1-2-4-12)7-5-8(10(15)16)13(6-7)11(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)/t7-,8-/m1/s1
InChIKeyYQFRWCBSEJDCSU-HTQZYQBOSA-N
XLogP0.06
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
(2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid
CID 154462534
4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid
CID 139534258
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
CID 139534275
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
1-O-tert-butyl 2-O-methyl (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylate
CID 155757059
4-(methylamino)pyrrolidine-1,2-dicarboxylic acid
CID 22181503
(2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid
CID 141105885
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
(2S,4R)-4-propan-2-ylpyrrolidine-1,2-dicarboxylic acid
CID 170164416

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid (CID 153347204) is (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid is O=C(O)[C@H]1C[C@@H](C(=O)N2CCCC2)CN1C(=O)O.
What is the InChIKey of (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is YQFRWCBSEJDCSU-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-9(12-3-1-2-4-12)7-5-8(10(15)16)13(6-7)11(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid?
(2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 153347204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).