3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid

C19H23NO6 — CID 126772864

IUPAC3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
SMILESCOc1cccc2c1OCC(C(=O)N(CCC(=O)O)C1CCOCC1)=C2
InChIInChI=1S/C19H23NO6/c1-24-16-4-2-3-13-11-14(12-26-18(13)16)19(23)20(8-5-17(21)22)15-6-9-25-10-7-15/h2-4,11,15H,5-10,12H2,1H3,(H,21,22)
InChIKeyGKGOKQCWMGSRRY-UHFFFAOYSA-N
MW361.39 g/mol
LogP1.95
Rot. Bonds6

About 3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid

3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid (PubChem CID 126772864) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is 3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
PubChem CID126772864
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
SMILESCOc1cccc2c1OCC(C(=O)N(CCC(=O)O)C1CCOCC1)=C2
InChIInChI=1S/C19H23NO6/c1-24-16-4-2-3-13-11-14(12-26-18(13)16)19(23)20(8-5-17(21)22)15-6-9-25-10-7-15/h2-4,11,15H,5-10,12H2,1H3,(H,21,22)
InChIKeyGKGOKQCWMGSRRY-UHFFFAOYSA-N
XLogP1.95
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119188807
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235627
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434561
8-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)-2H-chromene-3-carboxamide
CID 60616153
2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 119217095
8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide
CID 119533955
N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide
CID 119572685
2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
CID 119247509

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid (CID 126772864) is 3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid is COc1cccc2c1OCC(C(=O)N(CCC(=O)O)C1CCOCC1)=C2.
What is the InChIKey of 3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid?
The InChIKey is GKGOKQCWMGSRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-24-16-4-2-3-13-11-14(12-26-18(13)16)19(23)20(8-5-17(21)22)15-6-9-25-10-7-15/h2-4,11,15H,5-10,12H2,1H3,(H,21,22).
What are the key properties of 3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid?
3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid has a molecular weight of 361.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid is sourced from PubChem (CID 126772864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).