2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid

C10H11N3O4 — CID 63615241

IUPAC2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(NC(=O)c1ncccc1C(=O)O)C(N)=O
InChIInChI=1S/C10H11N3O4/c1-5(8(11)14)13-9(15)7-6(10(16)17)3-2-4-12-7/h2-5H,1H3,(H2,11,14)(H,13,15)(H,16,17)
InChIKeyFYMUVARRDRVIJY-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.62
Rot. Bonds4

About 2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid

2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615241) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63615241
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(NC(=O)c1ncccc1C(=O)O)C(N)=O
InChIInChI=1S/C10H11N3O4/c1-5(8(11)14)13-9(15)7-6(10(16)17)3-2-4-12-7/h2-5H,1H3,(H2,11,14)(H,13,15)(H,16,17)
InChIKeyFYMUVARRDRVIJY-UHFFFAOYSA-N
XLogP-0.62
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
2-(but-3-yn-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114414791
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434
2-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 81357236
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid
CID 82720780

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid (CID 63615241) is 2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid is CC(NC(=O)c1ncccc1C(=O)O)C(N)=O.
What is the InChIKey of 2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is FYMUVARRDRVIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-5(8(11)14)13-9(15)7-6(10(16)17)3-2-4-12-7/h2-5H,1H3,(H2,11,14)(H,13,15)(H,16,17).
What are the key properties of 2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).