2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide

C13H16N2O3 — CID 112735210

IUPAC2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide
SMILESNC(CC1CC1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H16N2O3/c14-10(5-8-1-2-8)13(16)15-9-3-4-11-12(6-9)18-7-17-11/h3-4,6,8,10H,1-2,5,7,14H2,(H,15,16)
InChIKeyKEVCGTJPTPTNRT-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide

2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide (PubChem CID 112735210) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide
PubChem CID112735210
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide
SMILESNC(CC1CC1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H16N2O3/c14-10(5-8-1-2-8)13(16)15-9-3-4-11-12(6-9)18-7-17-11/h3-4,6,8,10H,1-2,5,7,14H2,(H,15,16)
InChIKeyKEVCGTJPTPTNRT-UHFFFAOYSA-N
XLogP1.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1,3-benzodioxol-5-yl)butanamide
CID 79025249
(2R)-2-amino-N-(1,3-benzodioxol-5-yl)-3-methylsulfanylpropanamide
CID 139602945
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
1-(1,3-benzodioxol-5-yl)-3-(cyclopropylmethyl)urea
CID 47152145
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;hydrochloride
CID 119261511
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea
CID 47141802
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide
CID 112736075
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide (CID 112735210) is 2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide is NC(CC1CC1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide?
The InChIKey is KEVCGTJPTPTNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-10(5-8-1-2-8)13(16)15-9-3-4-11-12(6-9)18-7-17-11/h3-4,6,8,10H,1-2,5,7,14H2,(H,15,16).
What are the key properties of 2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide?
2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide has a molecular weight of 248.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide is sourced from PubChem (CID 112735210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).