(3S)-3-aminobutanenitrile

C4H8N2 — CID 51418887

IUPAC(3S)-3-aminobutanenitrile
SMILESC[C@H](N)CC#N
InChIInChI=1S/C4H8N2/c1-4(6)2-3-5/h4H,2,6H2,1H3/t4-/m0/s1
InChIKeyPPBSMPOYVPZOFM-BYPYZUCNSA-N
MW84.12 g/mol
LogP0.25
Rot. Bonds1

About (3S)-3-aminobutanenitrile

(3S)-3-aminobutanenitrile (PubChem CID 51418887) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is (3S)-3-aminobutanenitrile.

Molecular Properties

Compound Name(3S)-3-aminobutanenitrile
PubChem CID51418887
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name(3S)-3-aminobutanenitrile
SMILESC[C@H](N)CC#N
InChIInChI=1S/C4H8N2/c1-4(6)2-3-5/h4H,2,6H2,1H3/t4-/m0/s1
InChIKeyPPBSMPOYVPZOFM-BYPYZUCNSA-N
XLogP0.25
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminobutanenitrile?
The IUPAC name of (3S)-3-aminobutanenitrile (CID 51418887) is (3S)-3-aminobutanenitrile.
What is the SMILES notation for (3S)-3-aminobutanenitrile?
The canonical SMILES for (3S)-3-aminobutanenitrile is C[C@H](N)CC#N.
What is the InChIKey of (3S)-3-aminobutanenitrile?
The InChIKey is PPBSMPOYVPZOFM-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8N2/c1-4(6)2-3-5/h4H,2,6H2,1H3/t4-/m0/s1.
What are the key properties of (3S)-3-aminobutanenitrile?
(3S)-3-aminobutanenitrile has a molecular weight of 84.12 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminobutanenitrile is sourced from PubChem (CID 51418887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).