2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid

C11H13NO4 — CID 93366028

IUPAC2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
SMILESC[C@@H](CO)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(15)16/h2-5,7,13H,6H2,1H3,(H,12,14)(H,15,16)/t7-/m0/s1
InChIKeyMOHUAEVZDUEBII-ZETCQYMHSA-N
MW223.23 g/mol
LogP0.50
Rot. Bonds4

About 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid

2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid (PubChem CID 93366028) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
PubChem CID93366028
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
SMILESC[C@@H](CO)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(15)16/h2-5,7,13H,6H2,1H3,(H,12,14)(H,15,16)/t7-/m0/s1
InChIKeyMOHUAEVZDUEBII-ZETCQYMHSA-N
XLogP0.50
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160
2-anilino-N-(1-hydroxypropan-2-yl)benzamide
CID 110887420
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87984886
2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 149362786
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
2-[(3-hydroxy-2-methylpropyl)carbamoyl]benzoic acid
CID 65034048
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid (CID 93366028) is 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid is C[C@@H](CO)NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid?
The InChIKey is MOHUAEVZDUEBII-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(15)16/h2-5,7,13H,6H2,1H3,(H,12,14)(H,15,16)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid?
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 93366028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).