(2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid

C9H10N2O4 — CID 123382658

IUPAC(2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid
SMILESCOc1ccc(C=O)nc1[C@@H](N)C(=O)O
InChIInChI=1S/C9H10N2O4/c1-15-6-3-2-5(4-12)11-8(6)7(10)9(13)14/h2-4,7H,10H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyCSRCEMPIYGVIGO-SSDOTTSWSA-N
MW210.19 g/mol
LogP-0.01
Rot. Bonds4

About (2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid

(2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid (PubChem CID 123382658) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid
PubChem CID123382658
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid
SMILESCOc1ccc(C=O)nc1[C@@H](N)C(=O)O
InChIInChI=1S/C9H10N2O4/c1-15-6-3-2-5(4-12)11-8(6)7(10)9(13)14/h2-4,7H,10H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyCSRCEMPIYGVIGO-SSDOTTSWSA-N
XLogP-0.01
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid (CID 123382658) is (2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid is COc1ccc(C=O)nc1[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid?
The InChIKey is CSRCEMPIYGVIGO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-15-6-3-2-5(4-12)11-8(6)7(10)9(13)14/h2-4,7H,10H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid?
(2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid has a molecular weight of 210.19 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(6-formyl-3-methoxy-2-pyridinyl)acetic acid is sourced from PubChem (CID 123382658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).