2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol

C14H25NO5 — CID 170597186

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol
SMILESCC.CO.COc1ccc(CNCC(=O)O)c(OC)c1
InChIInChI=1S/C11H15NO4.C2H6.CH4O/c1-15-9-4-3-8(10(5-9)16-2)6-12-7-11(13)14;2*1-2/h3-5,12H,6-7H2,1-2H3,(H,13,14);1-2H3;2H,1H3
InChIKeyKECXKEARMARXTN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.51
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol

2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol (PubChem CID 170597186) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol
PubChem CID170597186
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol
SMILESCC.CO.COc1ccc(CNCC(=O)O)c(OC)c1
InChIInChI=1S/C11H15NO4.C2H6.CH4O/c1-15-9-4-3-8(10(5-9)16-2)6-12-7-11(13)14;2*1-2/h3-5,12H,6-7H2,1-2H3,(H,13,14);1-2H3;2H,1H3
InChIKeyKECXKEARMARXTN-UHFFFAOYSA-N
XLogP1.51
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
CID 43214431
N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
CID 60977202
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957321
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
2-amino-4-[(2,4-dimethoxyphenyl)methylamino]butanoic acid
CID 115241190
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
(2,4-dimethoxyphenyl)methylurea
CID 53362457

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol (CID 170597186) is 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol is CC.CO.COc1ccc(CNCC(=O)O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol?
The InChIKey is KECXKEARMARXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4.C2H6.CH4O/c1-15-9-4-3-8(10(5-9)16-2)6-12-7-11(13)14;2*1-2/h3-5,12H,6-7H2,1-2H3,(H,13,14);1-2H3;2H,1H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol?
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol has a molecular weight of 287.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol is sourced from PubChem (CID 170597186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).