(3R,4R)-pyrrolidine-3,4-dicarboxylic acid

C6H9NO4 — CID 54002055

IUPAC(3R,4R)-pyrrolidine-3,4-dicarboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C6H9NO4/c8-5(9)3-1-7-2-4(3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKeyKMHDKGFRYVKQNW-IMJSIDKUSA-N
MW159.14 g/mol
LogP-1.01
Rot. Bonds2

About (3R,4R)-pyrrolidine-3,4-dicarboxylic acid

(3R,4R)-pyrrolidine-3,4-dicarboxylic acid (PubChem CID 54002055) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (3R,4R)-pyrrolidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(3R,4R)-pyrrolidine-3,4-dicarboxylic acid
PubChem CID54002055
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(3R,4R)-pyrrolidine-3,4-dicarboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C6H9NO4/c8-5(9)3-1-7-2-4(3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKeyKMHDKGFRYVKQNW-IMJSIDKUSA-N
XLogP-1.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyrrolidinecarboxylic acid
CID 3034645
5-Oxopyrrolidine-3-carboxylic acid
CID 16785136
(S)-5-oxopyrrolidine-3-carboxylic acid
CID 25100087
(3R)-5-oxopyrrolidine-3-carboxylic acid
CID 28063204
(3R)-3-Pyrrolidinecarboxylic acid
CID 1501970
cis-3,4-Pyrrolidinedicarboxylic acid
CID 1515155
rac-(3R,4R)-4-methylpyrrolidine-3-carboxylic acid
CID 1512685
4-Hydroxymethyl-Pyrrolidine-3-Carboxylic Acid
CID 4059864
4,4-Dimethyl-pyrrolidine-3-carboxylic acid
CID 5103410
(3R)-pyrrolidine-3-carboxylic acid hydrochloride
CID 43810916
Pyrrolidine-3-carboxylic acid hydrochloride
CID 44890816
4,4-Dimethylpyrrolidine-3-carboxylic acid hydrochloride
CID 56763825

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-pyrrolidine-3,4-dicarboxylic acid?
The IUPAC name of (3R,4R)-pyrrolidine-3,4-dicarboxylic acid (CID 54002055) is (3R,4R)-pyrrolidine-3,4-dicarboxylic acid.
What is the SMILES notation for (3R,4R)-pyrrolidine-3,4-dicarboxylic acid?
The canonical SMILES for (3R,4R)-pyrrolidine-3,4-dicarboxylic acid is O=C(O)[C@H]1CNC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4R)-pyrrolidine-3,4-dicarboxylic acid?
The InChIKey is KMHDKGFRYVKQNW-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H9NO4/c8-5(9)3-1-7-2-4(3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4-/m0/s1.
What are the key properties of (3R,4R)-pyrrolidine-3,4-dicarboxylic acid?
(3R,4R)-pyrrolidine-3,4-dicarboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-pyrrolidine-3,4-dicarboxylic acid is sourced from PubChem (CID 54002055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).