2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid

C14H19NO4 — CID 61008916

IUPAC2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H19NO4/c1-4-7-15(9-13(16)17)14(18)11-8-10(2)5-6-12(11)19-3/h5-6,8H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyQEKAVYKZYREYJZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.94
Rot. Bonds6

About 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid

2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid (PubChem CID 61008916) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
PubChem CID61008916
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H19NO4/c1-4-7-15(9-13(16)17)14(18)11-8-10(2)5-6-12(11)19-3/h5-6,8H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyQEKAVYKZYREYJZ-UHFFFAOYSA-N
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
3-(dipropylcarbamoyl)-4-methoxybenzoic acid
CID 129054402
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012752
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid
CID 61007679
2-[[4-(difluoromethoxy)-3-methoxybenzoyl]-propylamino]acetic acid
CID 119204959
3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324907
2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
CID 54901352
2-methoxy-N,5-dimethylbenzohydrazide
CID 116845575
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 79667751
methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
CID 106491024

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid (CID 61008916) is 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid?
The InChIKey is QEKAVYKZYREYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-7-15(9-13(16)17)14(18)11-8-10(2)5-6-12(11)19-3/h5-6,8H,4,7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid?
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid is sourced from PubChem (CID 61008916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).