(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide

C11H14N2O3 — CID 78973204

IUPAC(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14N2O3/c1-7(12)11(14)13-5-8-2-3-9-10(4-8)16-6-15-9/h2-4,7H,5-6,12H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyOMQADXNEAAWCCL-SSDOTTSWSA-N
MW222.24 g/mol
LogP0.38
Rot. Bonds3

About (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide

(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide (PubChem CID 78973204) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
PubChem CID78973204
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14N2O3/c1-7(12)11(14)13-5-8-2-3-9-10(4-8)16-6-15-9/h2-4,7H,5-6,12H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyOMQADXNEAAWCCL-SSDOTTSWSA-N
XLogP0.38
TPSA73.58 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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide 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

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloropropanamide
CID 2435381
(2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide
CID 14620802
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79202322
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958888
N-(1,3-benzodioxol-5-ylmethyl)-2-(carbamoylamino)-3-methylbutanamide
CID 4783480
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(carbamoylamino)-3-methylbutanamide
CID 7872524
2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 116677298
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 115179287
(2R)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoic acid
CID 908999
ethyl N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 110349297
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 68690999
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide (CID 78973204) is (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide is C[C@@H](N)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide?
The InChIKey is OMQADXNEAAWCCL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(12)11(14)13-5-8-2-3-9-10(4-8)16-6-15-9/h2-4,7H,5-6,12H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide?
(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide has a molecular weight of 222.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide is sourced from PubChem (CID 78973204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).