2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid

C19H19NO5 — CID 119196809

IUPAC2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19NO5/c21-18(11-15-6-7-16-17(10-15)25-9-8-24-16)20(13-19(22)23)12-14-4-2-1-3-5-14/h1-7,10H,8-9,11-13H2,(H,22,23)
InChIKeyNJPWTWYTLLBHGX-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.11
Rot. Bonds6

About 2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid

2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid (PubChem CID 119196809) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid
PubChem CID119196809
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19NO5/c21-18(11-15-6-7-16-17(10-15)25-9-8-24-16)20(13-19(22)23)12-14-4-2-1-3-5-14/h1-7,10H,8-9,11-13H2,(H,22,23)
InChIKeyNJPWTWYTLLBHGX-UHFFFAOYSA-N
XLogP2.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-methylamino]acetic acid
CID 82486581
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
CID 18190703
2-[[2-(1,3-benzodioxol-5-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346796
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911
N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770157
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 42724435
N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 55334437
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 86978444
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-methylamino]acetic acid
CID 82382573
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 139216201
N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 86976342
N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide
CID 120886994

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid (CID 119196809) is 2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid is O=C(O)CN(Cc1ccccc1)C(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid?
The InChIKey is NJPWTWYTLLBHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c21-18(11-15-6-7-16-17(10-15)25-9-8-24-16)20(13-19(22)23)12-14-4-2-1-3-5-14/h1-7,10H,8-9,11-13H2,(H,22,23).
What are the key properties of 2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid?
2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid has a molecular weight of 341.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119196809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).