2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid

C13H17NO4 — CID 54901381

IUPAC2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(COC)c1
InChIInChI=1S/C13H17NO4/c1-3-14(8-12(15)16)13(17)11-6-4-5-10(7-11)9-18-2/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyMCBYIKDMBJNJGE-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.38
Rot. Bonds6

About 2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid

2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid (PubChem CID 54901381) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid
PubChem CID54901381
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(COC)c1
InChIInChI=1S/C13H17NO4/c1-3-14(8-12(15)16)13(17)11-6-4-5-10(7-11)9-18-2/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyMCBYIKDMBJNJGE-UHFFFAOYSA-N
XLogP1.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683
2-[ethyl-[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid
CID 54901480
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(methoxymethyl)benzamide
CID 38369967
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
2-[(3,5-dihydroxybenzoyl)-ethylamino]acetic acid
CID 107702457
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
2-[propyl-[3-(sulfamoylmethyl)benzoyl]amino]acetic acid
CID 119205518

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid (CID 54901381) is 2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1cccc(COC)c1.
What is the InChIKey of 2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid?
The InChIKey is MCBYIKDMBJNJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-14(8-12(15)16)13(17)11-6-4-5-10(7-11)9-18-2/h4-7H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid?
2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 54901381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).