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

C11H15N3O3 — CID 103233841

IUPAC2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
SMILESNC(=O)C(N)CNc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15N3O3/c12-8(11(13)15)6-14-7-1-2-9-10(5-7)17-4-3-16-9/h1-2,5,8,14H,3-4,6,12H2,(H2,13,15)
InChIKeyIBZITLZXGNRDRD-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.32
Rot. Bonds4

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

2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide (PubChem CID 103233841) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
PubChem CID103233841
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
SMILESNC(=O)C(N)CNc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15N3O3/c12-8(11(13)15)6-14-7-1-2-9-10(5-7)17-4-3-16-9/h1-2,5,8,14H,3-4,6,12H2,(H2,13,15)
InChIKeyIBZITLZXGNRDRD-UHFFFAOYSA-N
XLogP-0.32
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylpropanoate
CID 43538500
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol
CID 39242231
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;hydrochloride
CID 119261511
methyl 2-bromo-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanoate
CID 103232397
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutanediamide
CID 82122330
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174868
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylpropanenitrile
CID 43245373
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoate
CID 22592459
1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989154
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylbutanamide
CID 43101935
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;hydrochloride
CID 120558603

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
The IUPAC name of 2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide (CID 103233841) is 2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide.
What is the SMILES notation for 2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
The canonical SMILES for 2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide is NC(=O)C(N)CNc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
The InChIKey is IBZITLZXGNRDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-8(11(13)15)6-14-7-1-2-9-10(5-7)17-4-3-16-9/h1-2,5,8,14H,3-4,6,12H2,(H2,13,15).
What are the key properties of 2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide has a molecular weight of 237.26 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide is sourced from PubChem (CID 103233841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).