(2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid

C11H18N2O10 — CID 87536446

IUPAC(2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid
SMILESN[C@@H](CC(C(=O)O)C(=O)O)C(=O)O.N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6.C5H9NO4/c7-3(6(12)13)1-2(4(8)9)5(10)11;6-3(5(9)10)1-2-4(7)8/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13);3H,1-2,6H2,(H,7,8)(H,9,10)/t2*3-/m01/s1
InChIKeyQRBYSIADDOPEGT-OCZOEHNFSA-N
MW338.27 g/mol
LogP-2.16
Rot. Bonds9

About (2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid

(2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid (PubChem CID 87536446) has the molecular formula C11H18N2O10 and a molecular weight of 338.27 g/mol. Its IUPAC name is (2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid.

Molecular Properties

Compound Name(2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid
PubChem CID87536446
Molecular FormulaC11H18N2O10
Molecular Weight338.27 g/mol
Exact Mass338.10
IUPAC Name(2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid
SMILESN[C@@H](CC(C(=O)O)C(=O)O)C(=O)O.N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6.C5H9NO4/c7-3(6(12)13)1-2(4(8)9)5(10)11;6-3(5(9)10)1-2-4(7)8/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13);3H,1-2,6H2,(H,7,8)(H,9,10)/t2*3-/m01/s1
InChIKeyQRBYSIADDOPEGT-OCZOEHNFSA-N
XLogP-2.16
TPSA238.54 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.27
LogP ≤ 5-2.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid
CID 87435281
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
tetrakis((2S)-2-aminobutanedioic acid);(2S)-2-aminopentanedioic acid
CID 160730192
(2S)-2-aminobutanedioic acid;bis((2S)-2-aminopentanedioic acid)
CID 87733347

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid?
The IUPAC name of (2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid (CID 87536446) is (2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid.
What is the SMILES notation for (2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid?
The canonical SMILES for (2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid is N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O.N[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid?
The InChIKey is QRBYSIADDOPEGT-OCZOEHNFSA-N. The full InChI is InChI=1S/C6H9NO6.C5H9NO4/c7-3(6(12)13)1-2(4(8)9)5(10)11;6-3(5(9)10)1-2-4(7)8/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13);3H,1-2,6H2,(H,7,8)(H,9,10)/t2*3-/m01/s1.
What are the key properties of (2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid?
(2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid has a molecular weight of 338.27 g/mol, XLogP of -2.16, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid is sourced from PubChem (CID 87536446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).