3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid

C12H15NO4 — CID 63795093

IUPAC3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
SMILESCOCC(=O)NCCc1cccc(C(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-17-8-11(14)13-6-5-9-3-2-4-10(7-9)12(15)16/h2-4,7H,5-6,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyDPDOXKITDGFXIE-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.69
Rot. Bonds6

About 3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid

3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid (PubChem CID 63795093) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
PubChem CID63795093
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
SMILESCOCC(=O)NCCc1cccc(C(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-17-8-11(14)13-6-5-9-3-2-4-10(7-9)12(15)16/h2-4,7H,5-6,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyDPDOXKITDGFXIE-UHFFFAOYSA-N
XLogP0.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-ethoxyacetyl)amino]ethyl]benzoic acid
CID 63795816
3-[2-[(2-amino-3-methoxypropanoyl)amino]ethyl]benzoic acid
CID 81088349
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
CID 63794940
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300
3-[2-(propan-2-yloxycarbonylamino)ethyl]benzoic acid
CID 63795289
3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid
CID 63793879
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate
CID 9064756
3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid
CID 120689485
3-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]benzoic acid
CID 79264408
3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
CID 45396627
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid (CID 63795093) is 3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid is COCC(=O)NCCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid?
The InChIKey is DPDOXKITDGFXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-17-8-11(14)13-6-5-9-3-2-4-10(7-9)12(15)16/h2-4,7H,5-6,8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid?
3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 63795093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).