2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid

C11H14N2O3 — CID 62231703

IUPAC2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid
SMILESCNC(=O)C(C)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7(10(14)12-2)13-9-6-4-3-5-8(9)11(15)16/h3-7,13H,1-2H3,(H,12,14)(H,15,16)
InChIKeyGGGLEURMQRRMGA-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.93
Rot. Bonds4

About 2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid

2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid (PubChem CID 62231703) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid
PubChem CID62231703
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid
SMILESCNC(=O)C(C)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7(10(14)12-2)13-9-6-4-3-5-8(9)11(15)16/h3-7,13H,1-2H3,(H,12,14)(H,15,16)
InChIKeyGGGLEURMQRRMGA-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-(dimethylamino)anilino]-N-methylpropanamide
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2-(pentan-3-ylamino)benzoic acid
CID 43139564
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]benzoic acid
CID 79250086
2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid
CID 43322121
2-(2-ethoxyanilino)-N-methylpropanamide
CID 43085473
2-(1-hydroxypropylamino)benzoic acid
CID 19907036
2-[1-(2,6-difluorophenyl)ethylamino]benzoic acid
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2-[(3-methyl-1-phenylbutyl)amino]benzoic acid
CID 43322105

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid?
The IUPAC name of 2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid (CID 62231703) is 2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid.
What is the SMILES notation for 2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid?
The canonical SMILES for 2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid is CNC(=O)C(C)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid?
The InChIKey is GGGLEURMQRRMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(10(14)12-2)13-9-6-4-3-5-8(9)11(15)16/h3-7,13H,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid?
2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid is sourced from PubChem (CID 62231703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).