(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid

C6H10N2O4 — CID 5310984

IUPAC(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid
SMILESN[C@@]1(C(=O)O)CN[C@@H](C(=O)O)C1
InChIInChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1
InChIKeyXZFMJVJDSYRWDQ-AWFVSMACSA-N
MW174.16 g/mol
LogP-1.78
Rot. Bonds2

About (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid

(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid (PubChem CID 5310984) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid
PubChem CID5310984
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid
SMILESN[C@@]1(C(=O)O)CN[C@@H](C(=O)O)C1
InChIInChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1
InChIKeyXZFMJVJDSYRWDQ-AWFVSMACSA-N
XLogP-1.78
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

L-trans-Pyrrolidine-2,4-dicarboxylic acid
CID 1515192
Pyrrolidine-2,4-dicarboxylic acid
CID 3868
L-cis-Pyrrolidine-2,4-dicarboxylic acid
CID 1515194
(2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride
CID 45260408
(2R,4S)-pyrrolidine-2,4-dicarboxylic acid
CID 1515193
(2S,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid
CID 6604828
(2R,4S)-4-Aminopyrrolidine-2,4-dicarboxylic acid
CID 9815360
Trans-4-aminoproline
CID 13419852
3-Aminopyrrolidine-2-carboxylic acid
CID 21998160
(2R,4R)-1,4-Diamino-pyrrolidine-2,4-dicarboxylic acid
CID 10330132
(2R,4R)-pyrrolidine-2,4-dicarboxylic acid
CID 1515191
(2S,4S)-4-aminopyrrolidine-2,4-dicarboxylic acid
CID 21636918

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid (CID 5310984) is (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid is N[C@@]1(C(=O)O)CN[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid?
The InChIKey is XZFMJVJDSYRWDQ-AWFVSMACSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1.
What are the key properties of (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid?
(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid has a molecular weight of 174.16 g/mol, XLogP of -1.78, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 5310984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).