(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile

C10H10N2O2 — CID 30116351

IUPAC(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile
SMILESC[C@](N)(C#N)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H10N2O2/c1-10(12,5-11)7-2-3-8-9(4-7)14-6-13-8/h2-4H,6,12H2,1H3/t10-/m0/s1
InChIKeyDRVWDUJHDYZISK-JTQLQIEISA-N
MW190.20 g/mol
LogP1.11
Rot. Bonds1

About (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile

(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile (PubChem CID 30116351) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile
PubChem CID30116351
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile
SMILESC[C@](N)(C#N)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H10N2O2/c1-10(12,5-11)7-2-3-8-9(4-7)14-6-13-8/h2-4H,6,12H2,1H3/t10-/m0/s1
InChIKeyDRVWDUJHDYZISK-JTQLQIEISA-N
XLogP1.11
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile 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

2-(1,3-benzodioxol-5-yl)-3-methylbutan-2-amine
CID 82283449
(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93471595
2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
5-(1,1-difluoro-2,2-dimethylpropyl)-1,3-benzodioxole
CID 154618355
1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine
CID 22299281
3-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]propanenitrile
CID 115231332
4-amino-2-(1,3-benzodioxol-5-yl)butan-2-ol
CID 82395145
3-(1,3-benzodioxol-5-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839632
2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine
CID 83837134
2-(1,3-benzodioxol-5-yl)-1-bromo-1,1-difluoropropan-2-ol
CID 107140483
2-amino-1-(1,3-benzodioxol-5-yl)propane-1,1-diol
CID 162733869

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile?
The IUPAC name of (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile (CID 30116351) is (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile.
What is the SMILES notation for (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile?
The canonical SMILES for (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile is C[C@](N)(C#N)c1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile?
The InChIKey is DRVWDUJHDYZISK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10N2O2/c1-10(12,5-11)7-2-3-8-9(4-7)14-6-13-8/h2-4H,6,12H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile?
(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile has a molecular weight of 190.20 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile is sourced from PubChem (CID 30116351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).