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

C11H12N2O5 — CID 55249525

IUPAC2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
SMILESCOC(=O)[C@H](C)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C11H12N2O5/c1-6(11(17)18-2)13-9(14)8-7(10(15)16)4-3-5-12-8/h3-6H,1-2H3,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyPNWJPOCIJGVPKV-LURJTMIESA-N
MW252.23 g/mol
LogP0.07
Rot. Bonds4

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

2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 55249525) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID55249525
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
SMILESCOC(=O)[C@H](C)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C11H12N2O5/c1-6(11(17)18-2)13-9(14)8-7(10(15)16)4-3-5-12-8/h3-6H,1-2H3,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyPNWJPOCIJGVPKV-LURJTMIESA-N
XLogP0.07
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63615241
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
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-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid (CID 55249525) is 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid is COC(=O)[C@H](C)NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is PNWJPOCIJGVPKV-LURJTMIESA-N. The full InChI is InChI=1S/C11H12N2O5/c1-6(11(17)18-2)13-9(14)8-7(10(15)16)4-3-5-12-8/h3-6H,1-2H3,(H,13,14)(H,15,16)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid?
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 55249525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).