3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid

C13H15NO6 — CID 82324907

IUPAC3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccccc1C(=O)N(CCC(=O)O)CC(=O)O
InChIInChI=1S/C13H15NO6/c1-20-10-5-3-2-4-9(10)13(19)14(8-12(17)18)7-6-11(15)16/h2-5H,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyIPWYNQPYHRQVQY-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.70
Rot. Bonds7

About 3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid

3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid (PubChem CID 82324907) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
PubChem CID82324907
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccccc1C(=O)N(CCC(=O)O)CC(=O)O
InChIInChI=1S/C13H15NO6/c1-20-10-5-3-2-4-9(10)13(19)14(8-12(17)18)7-6-11(15)16/h2-5H,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyIPWYNQPYHRQVQY-UHFFFAOYSA-N
XLogP0.70
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324912
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752
2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324908
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
3-[2-hydroxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324584
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 107433916

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid (CID 82324907) is 3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid is COc1ccccc1C(=O)N(CCC(=O)O)CC(=O)O.
What is the InChIKey of 3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid?
The InChIKey is IPWYNQPYHRQVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-20-10-5-3-2-4-9(10)13(19)14(8-12(17)18)7-6-11(15)16/h2-5H,6-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid?
3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid has a molecular weight of 281.26 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 82324907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).