(2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid

C9H10N2O3 — CID 55297066

IUPAC(2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid
SMILESN[C@@H](Cc1cccc(C=O)n1)C(=O)O
InChIInChI=1S/C9H10N2O3/c10-8(9(13)14)4-6-2-1-3-7(5-12)11-6/h1-3,5,8H,4,10H2,(H,13,14)/t8-/m0/s1
InChIKeySSLORWYWYQZXLT-QMMMGPOBSA-N
MW194.19 g/mol
LogP-0.15
Rot. Bonds4

About (2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid

(2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid (PubChem CID 55297066) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid
PubChem CID55297066
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid
SMILESN[C@@H](Cc1cccc(C=O)n1)C(=O)O
InChIInChI=1S/C9H10N2O3/c10-8(9(13)14)4-6-2-1-3-7(5-12)11-6/h1-3,5,8H,4,10H2,(H,13,14)/t8-/m0/s1
InChIKeySSLORWYWYQZXLT-QMMMGPOBSA-N
XLogP-0.15
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid (CID 55297066) is (2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid is N[C@@H](Cc1cccc(C=O)n1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid?
The InChIKey is SSLORWYWYQZXLT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-8(9(13)14)4-6-2-1-3-7(5-12)11-6/h1-3,5,8H,4,10H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid?
(2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid has a molecular weight of 194.19 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 55297066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).