2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid

C14H20N2O5 — CID 39293694

IUPAC2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid
SMILESCOc1ccc(C(=O)NCC(=O)O)c(OCCN(C)C)c1
InChIInChI=1S/C14H20N2O5/c1-16(2)6-7-21-12-8-10(20-3)4-5-11(12)14(19)15-9-13(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyUYJKTCIJLOPNER-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.45
Rot. Bonds8

About 2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid

2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid (PubChem CID 39293694) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid
PubChem CID39293694
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid
SMILESCOc1ccc(C(=O)NCC(=O)O)c(OCCN(C)C)c1
InChIInChI=1S/C14H20N2O5/c1-16(2)6-7-21-12-8-10(20-3)4-5-11(12)14(19)15-9-13(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyUYJKTCIJLOPNER-UHFFFAOYSA-N
XLogP0.45
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl chloride
CID 39260609
N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide
CID 9480532
3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid
CID 20988529
S-methyl 2-[3-(dimethylamino)propoxy]-4-methoxybenzenecarbothioate
CID 172819160
4-[[2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 22681936
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864
N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000
3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid
CID 120515258
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid (CID 39293694) is 2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid is COc1ccc(C(=O)NCC(=O)O)c(OCCN(C)C)c1.
What is the InChIKey of 2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid?
The InChIKey is UYJKTCIJLOPNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-16(2)6-7-21-12-8-10(20-3)4-5-11(12)14(19)15-9-13(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid?
2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid is sourced from PubChem (CID 39293694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).