2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid

C14H19NO7 — CID 71370887

IUPAC2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CCO)CC(=O)O)cc(OC)c1OC
InChIInChI=1S/C14H19NO7/c1-20-10-6-9(7-11(21-2)13(10)22-3)14(19)15(4-5-16)8-12(17)18/h6-7,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyJPYGUEOXLQVFTR-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.23
Rot. Bonds8

About 2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid

2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid (PubChem CID 71370887) has the molecular formula C14H19NO7 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
PubChem CID71370887
Molecular FormulaC14H19NO7
Molecular Weight313.31 g/mol
Exact Mass313.12
IUPAC Name2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CCO)CC(=O)O)cc(OC)c1OC
InChIInChI=1S/C14H19NO7/c1-20-10-6-9(7-11(21-2)13(10)22-3)14(19)15(4-5-16)8-12(17)18/h6-7,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyJPYGUEOXLQVFTR-UHFFFAOYSA-N
XLogP0.23
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119189491
2-[butan-2-yl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 119955341
3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride
CID 20833879
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide
CID 82183920
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide
CID 78785886
N-(2-hydroxyethyl)-3-methoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 111122063

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid (CID 71370887) is 2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid is COc1cc(C(=O)N(CCO)CC(=O)O)cc(OC)c1OC.
What is the InChIKey of 2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid?
The InChIKey is JPYGUEOXLQVFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO7/c1-20-10-6-9(7-11(21-2)13(10)22-3)14(19)15(4-5-16)8-12(17)18/h6-7,16H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid?
2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 71370887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).