3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C11H14N2O3 — CID 43144969

IUPAC3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESNC(=O)CC(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H14N2O3/c12-8(6-11(13)14)7-1-2-9-10(5-7)16-4-3-15-9/h1-2,5,8H,3-4,6,12H2,(H2,13,14)
InChIKeyYBMZWJFMLTVGNW-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.33
Rot. Bonds3

About 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 43144969) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID43144969
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESNC(=O)CC(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H14N2O3/c12-8(6-11(13)14)7-1-2-9-10(5-7)16-4-3-15-9/h1-2,5,8H,3-4,6,12H2,(H2,13,14)
InChIKeyYBMZWJFMLTVGNW-UHFFFAOYSA-N
XLogP0.33
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
CID 3560607
3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanehydrazide
CID 116849196
(2S,4S)-2,4-diamino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 129462959
3-amino-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide
CID 170876312
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 4625672
methyl 4-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate
CID 60861818
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine
CID 64655817
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentane-1,5-diamine
CID 171226610
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide
CID 171868354
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine;hydrochloride
CID 171207035
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 43144969) is 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is NC(=O)CC(N)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is YBMZWJFMLTVGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-8(6-11(13)14)7-1-2-9-10(5-7)16-4-3-15-9/h1-2,5,8H,3-4,6,12H2,(H2,13,14).
What are the key properties of 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 222.24 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 43144969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).