4-[2-(methylamino)-2-oxoethyl]benzoic acid

C10H11NO3 — CID 139022603

IUPAC4-[2-(methylamino)-2-oxoethyl]benzoic acid
SMILESCNC(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO3/c1-11-9(12)6-7-2-4-8(5-3-7)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyYPRZYKHZGFQSPK-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.67
Rot. Bonds3

About 4-[2-(methylamino)-2-oxoethyl]benzoic acid

4-[2-(methylamino)-2-oxoethyl]benzoic acid (PubChem CID 139022603) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-[2-(methylamino)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(methylamino)-2-oxoethyl]benzoic acid
PubChem CID139022603
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-[2-(methylamino)-2-oxoethyl]benzoic acid
SMILESCNC(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO3/c1-11-9(12)6-7-2-4-8(5-3-7)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyYPRZYKHZGFQSPK-UHFFFAOYSA-N
XLogP0.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen
CID 176700295
4-[[[2-(methylamino)-2-oxoethyl]carbamoylamino]methyl]benzoic acid
CID 61198185
methane;4-(methylaminomethyl)benzoic acid
CID 159753139
4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 43414345
N-methyl-2-(4-phenoxyphenyl)acetamide
CID 20806825
4-[4-(carboxymethyl)anilino]benzoic acid
CID 82535929
4-(2-oxopentyl)benzoic acid
CID 23022561
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364713
terephthalic acid
CID 160582437

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-2-oxoethyl]benzoic acid?
The IUPAC name of 4-[2-(methylamino)-2-oxoethyl]benzoic acid (CID 139022603) is 4-[2-(methylamino)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 4-[2-(methylamino)-2-oxoethyl]benzoic acid?
The canonical SMILES for 4-[2-(methylamino)-2-oxoethyl]benzoic acid is CNC(=O)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(methylamino)-2-oxoethyl]benzoic acid?
The InChIKey is YPRZYKHZGFQSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-9(12)6-7-2-4-8(5-3-7)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-[2-(methylamino)-2-oxoethyl]benzoic acid?
4-[2-(methylamino)-2-oxoethyl]benzoic acid has a molecular weight of 193.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 139022603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).