2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid

C17H19NO5 — CID 119217095

IUPAC2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCOc1cccc2c1OCC(C(=O)NC1(CC(=O)O)CCC1)=C2
InChIInChI=1S/C17H19NO5/c1-22-13-5-2-4-11-8-12(10-23-15(11)13)16(21)18-17(6-3-7-17)9-14(19)20/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyLWJMYUWXVCFHLP-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.98
Rot. Bonds5

About 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 119217095) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID119217095
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCOc1cccc2c1OCC(C(=O)NC1(CC(=O)O)CCC1)=C2
InChIInChI=1S/C17H19NO5/c1-22-13-5-2-4-11-8-12(10-23-15(11)13)16(21)18-17(6-3-7-17)9-14(19)20/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyLWJMYUWXVCFHLP-UHFFFAOYSA-N
XLogP1.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119565259
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113812
3-ethoxy-1-[(8-methoxy-2H-chromene-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699808
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
2-[1-[(2-hydroxy-3-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672584
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 65433607
N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide
CID 119438960
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid (CID 119217095) is 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid is COc1cccc2c1OCC(C(=O)NC1(CC(=O)O)CCC1)=C2.
What is the InChIKey of 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is LWJMYUWXVCFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-22-13-5-2-4-11-8-12(10-23-15(11)13)16(21)18-17(6-3-7-17)9-14(19)20/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 317.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).