(2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride

C8H14Cl2N2O6 — CID 45260408

IUPAC(2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride
SMILESCl.Cl.N[C@]1(C(=O)O)C[C@H](C(=O)O)N(CC(=O)O)C1
InChIInChI=1S/C8H12N2O6.2ClH/c9-8(7(15)16)1-4(6(13)14)10(3-8)2-5(11)12;;/h4H,1-3,9H2,(H,11,12)(H,13,14)(H,15,16);2*1H/t4-,8-;;/m1../s1
InChIKeyUNUMMRRAZBKCKD-AQUVYCRNSA-N
MW305.11 g/mol
LogP-1.14
Rot. Bonds4

About (2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride

(2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride (PubChem CID 45260408) has the molecular formula C8H14Cl2N2O6 and a molecular weight of 305.11 g/mol. Its IUPAC name is (2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride.

Molecular Properties

Compound Name(2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride
PubChem CID45260408
Molecular FormulaC8H14Cl2N2O6
Molecular Weight305.11 g/mol
Exact Mass304.02
IUPAC Name(2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride
SMILESCl.Cl.N[C@]1(C(=O)O)C[C@H](C(=O)O)N(CC(=O)O)C1
InChIInChI=1S/C8H12N2O6.2ClH/c9-8(7(15)16)1-4(6(13)14)10(3-8)2-5(11)12;;/h4H,1-3,9H2,(H,11,12)(H,13,14)(H,15,16);2*1H/t4-,8-;;/m1../s1
InChIKeyUNUMMRRAZBKCKD-AQUVYCRNSA-N
XLogP-1.14
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride?
The IUPAC name of (2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride (CID 45260408) is (2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride.
What is the SMILES notation for (2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride?
The canonical SMILES for (2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride is Cl.Cl.N[C@]1(C(=O)O)C[C@H](C(=O)O)N(CC(=O)O)C1.
What is the InChIKey of (2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride?
The InChIKey is UNUMMRRAZBKCKD-AQUVYCRNSA-N. The full InChI is InChI=1S/C8H12N2O6.2ClH/c9-8(7(15)16)1-4(6(13)14)10(3-8)2-5(11)12;;/h4H,1-3,9H2,(H,11,12)(H,13,14)(H,15,16);2*1H/t4-,8-;;/m1../s1.
What are the key properties of (2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride?
(2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride has a molecular weight of 305.11 g/mol, XLogP of -1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-1-(carboxymethyl)pyrrolidine-2,4-dicarboxylic acid;dihydrochloride is sourced from PubChem (CID 45260408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).