2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid

C13H19NO3 — CID 112518242

IUPAC2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
SMILESCOc1c(C)cc(C)cc1CCNCC(=O)O
InChIInChI=1S/C13H19NO3/c1-9-6-10(2)13(17-3)11(7-9)4-5-14-8-12(15)16/h6-7,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyYOWUEZJWPXNLJP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.53
Rot. Bonds6

About 2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid

2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid (PubChem CID 112518242) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
PubChem CID112518242
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
SMILESCOc1c(C)cc(C)cc1CCNCC(=O)O
InChIInChI=1S/C13H19NO3/c1-9-6-10(2)13(17-3)11(7-9)4-5-14-8-12(15)16/h6-7,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyYOWUEZJWPXNLJP-UHFFFAOYSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
3-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115219557
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-oxoacetic acid
CID 115141461
2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid
CID 115218097
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
N-(2-chloroethyl)-2-(2-methoxy-3,5-dimethylphenyl)ethanamine
CID 115215064
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
CID 115192109
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202127
1-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propan-2-one
CID 115235019
1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729
4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide
CID 115163102
1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189955

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid (CID 112518242) is 2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid is COc1c(C)cc(C)cc1CCNCC(=O)O.
What is the InChIKey of 2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid?
The InChIKey is YOWUEZJWPXNLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-6-10(2)13(17-3)11(7-9)4-5-14-8-12(15)16/h6-7,14H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid?
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid is sourced from PubChem (CID 112518242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).