2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid

C17H23NO4 — CID 56904309

IUPAC2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid
SMILESCC1(C)Cc2cc(CN3CCOCC3CC(=O)O)ccc2O1
InChIInChI=1S/C17H23NO4/c1-17(2)9-13-7-12(3-4-15(13)22-17)10-18-5-6-21-11-14(18)8-16(19)20/h3-4,7,14H,5-6,8-11H2,1-2H3,(H,19,20)
InChIKeyDKCOFMLURZMFIV-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.08
Rot. Bonds4

About 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid

2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid (PubChem CID 56904309) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid
PubChem CID56904309
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid
SMILESCC1(C)Cc2cc(CN3CCOCC3CC(=O)O)ccc2O1
InChIInChI=1S/C17H23NO4/c1-17(2)9-13-7-12(3-4-15(13)22-17)10-18-5-6-21-11-14(18)8-16(19)20/h3-4,7,14H,5-6,8-11H2,1-2H3,(H,19,20)
InChIKeyDKCOFMLURZMFIV-UHFFFAOYSA-N
XLogP2.08
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(9H-fluoren-2-ylmethyl)morpholin-3-yl]acetic acid
CID 56913375
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide
CID 126794663
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine
CID 80717280
3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid
CID 117009392
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid
CID 95726395
2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 65068120
(1S,5R)-6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133138657
8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74234956
2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95718552
2-[4-[(4-bromo-2-chlorophenyl)methyl]morpholin-3-yl]acetic acid
CID 113471103
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylbutanoic acid
CID 63271115

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid (CID 56904309) is 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid is CC1(C)Cc2cc(CN3CCOCC3CC(=O)O)ccc2O1.
What is the InChIKey of 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid?
The InChIKey is DKCOFMLURZMFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2)9-13-7-12(3-4-15(13)22-17)10-18-5-6-21-11-14(18)8-16(19)20/h3-4,7,14H,5-6,8-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid?
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 56904309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).