2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid

C12H15NO5 — CID 94690899

IUPAC2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
SMILESCOc1ccc(C)cc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H15NO5/c1-8-3-4-10(18-2)9(5-8)13(6-11(14)15)7-12(16)17/h3-5H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyARXHDRHJVLWOAJ-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.98
Rot. Bonds6

About 2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid

2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid (PubChem CID 94690899) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
PubChem CID94690899
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
SMILESCOc1ccc(C)cc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H15NO5/c1-8-3-4-10(18-2)9(5-8)13(6-11(14)15)7-12(16)17/h3-5H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyARXHDRHJVLWOAJ-UHFFFAOYSA-N
XLogP0.98
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde
CID 142942704
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate
CID 57325233
3-[2-methoxy-5-methyl-N-(2-methylprop-2-enyl)anilino]-2-methylpropanoic acid
CID 82319692
3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT
CID 126960353
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
CID 100544131
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
3-amino-4-(2-methoxy-N,5-dimethylanilino)-4-oxobutanoic acid
CID 115181262
(2S)-2-(2-methoxy-N,5-dimethylanilino)butanoic acid
CID 100521470
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]benzoic acid
CID 67817401

Frequently Asked Questions

What is the IUPAC name of 2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid?
The IUPAC name of 2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid (CID 94690899) is 2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid.
What is the SMILES notation for 2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid?
The canonical SMILES for 2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid is COc1ccc(C)cc1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid?
The InChIKey is ARXHDRHJVLWOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8-3-4-10(18-2)9(5-8)13(6-11(14)15)7-12(16)17/h3-5H,6-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid?
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid is sourced from PubChem (CID 94690899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).