2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid

C11H14N2O3 — CID 21387814

IUPAC2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid
SMILESCNC(=O)N(C)c1cccc(CC(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-12-11(16)13(2)9-5-3-4-8(6-9)7-10(14)15/h3-6H,7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyXSAGKAFNYOFOCR-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.09
Rot. Bonds3

About 2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid

2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid (PubChem CID 21387814) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid
PubChem CID21387814
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid
SMILESCNC(=O)N(C)c1cccc(CC(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-12-11(16)13(2)9-5-3-4-8(6-9)7-10(14)15/h3-6H,7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyXSAGKAFNYOFOCR-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 28759868
2-[3-(N-phenylanilino)phenyl]acetic acid
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2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid
CID 167855061
2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345591
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
3-[3-[acetyl(methyl)amino]phenyl]propanoic acid
CID 28760016
2-(3-benzylphenyl)acetic acid
CID 22590987
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid
CID 21340968
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid (CID 21387814) is 2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid is CNC(=O)N(C)c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid?
The InChIKey is XSAGKAFNYOFOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12-11(16)13(2)9-5-3-4-8(6-9)7-10(14)15/h3-6H,7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid?
2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(methylcarbamoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 21387814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).