(2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide

C9H11N3O3 — CID 87870630

IUPAC(2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide
SMILESC[C@@](N)(C(N)=O)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H11N3O3/c1-9(11,8(10)15)7(14)5-2-3-6(13)12-4-5/h2-4H,11H2,1H3,(H2,10,15)(H,12,13)/t9-/m0/s1
InChIKeyORBRCDQARJSHGH-VIFPVBQESA-N
MW209.21 g/mol
LogP-1.24
Rot. Bonds3

About (2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide

(2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 87870630) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is (2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID87870630
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name(2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide
SMILESC[C@@](N)(C(N)=O)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H11N3O3/c1-9(11,8(10)15)7(14)5-2-3-6(13)12-4-5/h2-4H,11H2,1H3,(H2,10,15)(H,12,13)/t9-/m0/s1
InChIKeyORBRCDQARJSHGH-VIFPVBQESA-N
XLogP-1.24
TPSA119.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide (CID 87870630) is (2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide is C[C@@](N)(C(N)=O)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of (2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is ORBRCDQARJSHGH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11N3O3/c1-9(11,8(10)15)7(14)5-2-3-6(13)12-4-5/h2-4H,11H2,1H3,(H2,10,15)(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide?
(2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 209.21 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 87870630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).