(2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid

C10H10N2O5 — CID 150341133

IUPAC(2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid
SMILESN[C@@](CC(=O)O)(C(=O)O)C(=O)c1ccncc1
InChIInChI=1S/C10H10N2O5/c11-10(9(16)17,5-7(13)14)8(15)6-1-3-12-4-2-6/h1-4H,5,11H2,(H,13,14)(H,16,17)/t10-/m1/s1
InChIKeyGRSSPAQEKSEDKV-SNVBAGLBSA-N
MW238.20 g/mol
LogP-0.48
Rot. Bonds5

About (2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid

(2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid (PubChem CID 150341133) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is (2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid
PubChem CID150341133
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name(2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid
SMILESN[C@@](CC(=O)O)(C(=O)O)C(=O)c1ccncc1
InChIInChI=1S/C10H10N2O5/c11-10(9(16)17,5-7(13)14)8(15)6-1-3-12-4-2-6/h1-4H,5,11H2,(H,13,14)(H,16,17)/t10-/m1/s1
InChIKeyGRSSPAQEKSEDKV-SNVBAGLBSA-N
XLogP-0.48
TPSA130.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid?
The IUPAC name of (2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid (CID 150341133) is (2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid.
What is the SMILES notation for (2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid?
The canonical SMILES for (2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid is N[C@@](CC(=O)O)(C(=O)O)C(=O)c1ccncc1.
What is the InChIKey of (2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid?
The InChIKey is GRSSPAQEKSEDKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10N2O5/c11-10(9(16)17,5-7(13)14)8(15)6-1-3-12-4-2-6/h1-4H,5,11H2,(H,13,14)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid?
(2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid has a molecular weight of 238.20 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid is sourced from PubChem (CID 150341133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).