(2R)-2-amino-3-methoxypropanenitrile

C4H8N2O — CID 94047442

IUPAC(2R)-2-amino-3-methoxypropanenitrile
SMILESCOC[C@H](N)C#N
InChIInChI=1S/C4H8N2O/c1-7-3-4(6)2-5/h4H,3,6H2,1H3/t4-/m1/s1
InChIKeyRPGPPCHMKDWLRT-SCSAIBSYSA-N
MW100.12 g/mol
LogP-0.52
Rot. Bonds2

About (2R)-2-amino-3-methoxypropanenitrile

(2R)-2-amino-3-methoxypropanenitrile (PubChem CID 94047442) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (2R)-2-amino-3-methoxypropanenitrile.

Molecular Properties

Compound Name(2R)-2-amino-3-methoxypropanenitrile
PubChem CID94047442
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(2R)-2-amino-3-methoxypropanenitrile
SMILESCOC[C@H](N)C#N
InChIInChI=1S/C4H8N2O/c1-7-3-4(6)2-5/h4H,3,6H2,1H3/t4-/m1/s1
InChIKeyRPGPPCHMKDWLRT-SCSAIBSYSA-N
XLogP-0.52
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methoxypropanenitrile?
The IUPAC name of (2R)-2-amino-3-methoxypropanenitrile (CID 94047442) is (2R)-2-amino-3-methoxypropanenitrile.
What is the SMILES notation for (2R)-2-amino-3-methoxypropanenitrile?
The canonical SMILES for (2R)-2-amino-3-methoxypropanenitrile is COC[C@H](N)C#N.
What is the InChIKey of (2R)-2-amino-3-methoxypropanenitrile?
The InChIKey is RPGPPCHMKDWLRT-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-7-3-4(6)2-5/h4H,3,6H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-2-amino-3-methoxypropanenitrile?
(2R)-2-amino-3-methoxypropanenitrile has a molecular weight of 100.12 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methoxypropanenitrile is sourced from PubChem (CID 94047442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).