(2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid

C13H16N2O4 — CID 15508178

IUPAC(2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2)C1
InChIInChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)/t10-,13-/m1/s1
InChIKeyLYCSUAGKQMUTBR-ZWNOBZJWSA-N
MW264.28 g/mol
LogP0.13
Rot. Bonds4

About (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid

(2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid (PubChem CID 15508178) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid
PubChem CID15508178
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2)C1
InChIInChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)/t10-,13-/m1/s1
InChIKeyLYCSUAGKQMUTBR-ZWNOBZJWSA-N
XLogP0.13
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid (CID 15508178) is (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid is N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2)C1.
What is the InChIKey of (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid?
The InChIKey is LYCSUAGKQMUTBR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)/t10-,13-/m1/s1.
What are the key properties of (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid?
(2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 15508178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).