2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid

C16H19NO6 — CID 119188807

IUPAC2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1=Cc2cccc(OC)c2OC1
InChIInChI=1S/C16H19NO6/c1-21-7-6-17(9-14(18)19)16(20)12-8-11-4-3-5-13(22-2)15(11)23-10-12/h3-5,8H,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyXDTXGSBEONGNAC-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.03
Rot. Bonds7

About 2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119188807) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119188807
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1=Cc2cccc(OC)c2OC1
InChIInChI=1S/C16H19NO6/c1-21-7-6-17(9-14(18)19)16(20)12-8-11-4-3-5-13(22-2)15(11)23-10-12/h3-5,8H,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyXDTXGSBEONGNAC-UHFFFAOYSA-N
XLogP1.03
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 126772864
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
8-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)-2H-chromene-3-carboxamide
CID 60616153
1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235627
2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 119217095
N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide
CID 22729212
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 119188807) is 2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1=Cc2cccc(OC)c2OC1.
What is the InChIKey of 2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is XDTXGSBEONGNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6/c1-21-7-6-17(9-14(18)19)16(20)12-8-11-4-3-5-13(22-2)15(11)23-10-12/h3-5,8H,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 321.33 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119188807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).